1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one

C150H228BrIN24O22 — CID 159342402

IUPAC1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one
SMILESC.C=C.CC.CC(=O)N1CCN(C)CC1.CC(C)=O.CCC(=O)c1ccc(Br)o1.CCC(=O)c1ccccc1.CCC(=O)c1ccco1.CCCCC(=O)NC.CCN(CC)CCCCCCC(=O)NC.CNC(=O)CN1CCN(C)CC1.CNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)o1.CNC(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccc(C)o1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1cccnc1.CNC(=O)c1cnccc1I.CNC(C)=O.COC
InChIInChI=1S/C18H21N3O3.2C14H21N3O.C14H13NO.C12H26N2O.C9H10O.C8H17N3O.C7H7BrO2.C7H7IN2O.C7H14N2O.C7H8N2O.C7H9NO2.C7H8O2.C6H13NO.C3H7NO.C3H6O.C2H6O.C2H6.C2H4.CH4/c1-19-17(22)16-8-7-15(24-16)13-3-5-14(6-4-13)18(23)21-11-9-20(2)10-12-21;2*1-15-14(18)13-5-3-12(4-6-13)11-17-9-7-16(2)8-10-17;1-15-14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-14(5-2)11-9-7-6-8-10-12(15)13-3;1-2-9(10)8-6-4-3-5-7-8;1-9-8(12)7-11-5-3-10(2)4-6-11;1-2-5(9)6-3-4-7(8)10-6;1-9-7(11)5-4-10-3-2-6(5)8;1-7(10)9-5-3-8(2)4-6-9;1-8-7(10)6-3-2-4-9-5-6;1-5-3-4-6(10-5)7(9)8-2;1-2-6(8)7-4-3-5-9-7;1-3-4-5-6(8)7-2;1-3(5)4-2;1-3(2)4;1-3-2;2*1-2;/h3-8H,9-12H2,1-2H3,(H,19,22);2*3-6H,7-11H2,1-2H3,(H,15,18);2-10H,1H3,(H,15,16);4-11H2,1-3H3,(H,13,15);3-7H,2H2,1H3;3-7H2,1-2H3,(H,9,12);3-4H,2H2,1H3;2-4H,1H3,(H,9,11);3-6H2,1-2H3;2-5H,1H3,(H,8,10);3-4H,1-2H3,(H,8,9);3-5H,2H2,1H3;3-5H2,1-2H3,(H,7,8);1-2H3,(H,4,5);1-2H3;1-2H3;1-2H3;1-2H2;1H4
InChIKeyLGHHTIHFZNWGOP-UHFFFAOYSA-N
MW2926.43 g/mol
LogP20.00
Rot. Bonds34

About 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one

1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one (PubChem CID 159342402) has the molecular formula C150H228BrIN24O22 and a molecular weight of 2926.43 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one
PubChem CID159342402
Molecular FormulaC150H228BrIN24O22
Molecular Weight2926.43 g/mol
Exact Mass2923.57
IUPAC Name1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one
SMILESC.C=C.CC.CC(=O)N1CCN(C)CC1.CC(C)=O.CCC(=O)c1ccc(Br)o1.CCC(=O)c1ccccc1.CCC(=O)c1ccco1.CCCCC(=O)NC.CCN(CC)CCCCCCC(=O)NC.CNC(=O)CN1CCN(C)CC1.CNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)o1.CNC(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccc(C)o1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1cccnc1.CNC(=O)c1cnccc1I.CNC(C)=O.COC
InChIInChI=1S/C18H21N3O3.2C14H21N3O.C14H13NO.C12H26N2O.C9H10O.C8H17N3O.C7H7BrO2.C7H7IN2O.C7H14N2O.C7H8N2O.C7H9NO2.C7H8O2.C6H13NO.C3H7NO.C3H6O.C2H6O.C2H6.C2H4.CH4/c1-19-17(22)16-8-7-15(24-16)13-3-5-14(6-4-13)18(23)21-11-9-20(2)10-12-21;2*1-15-14(18)13-5-3-12(4-6-13)11-17-9-7-16(2)8-10-17;1-15-14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-14(5-2)11-9-7-6-8-10-12(15)13-3;1-2-9(10)8-6-4-3-5-7-8;1-9-8(12)7-11-5-3-10(2)4-6-11;1-2-5(9)6-3-4-7(8)10-6;1-9-7(11)5-4-10-3-2-6(5)8;1-7(10)9-5-3-8(2)4-6-9;1-8-7(10)6-3-2-4-9-5-6;1-5-3-4-6(10-5)7(9)8-2;1-2-6(8)7-4-3-5-9-7;1-3-4-5-6(8)7-2;1-3(5)4-2;1-3(2)4;1-3-2;2*1-2;/h3-8H,9-12H2,1-2H3,(H,19,22);2*3-6H,7-11H2,1-2H3,(H,15,18);2-10H,1H3,(H,15,16);4-11H2,1-3H3,(H,13,15);3-7H,2H2,1H3;3-7H2,1-2H3,(H,9,12);3-4H,2H2,1H3;2-4H,1H3,(H,9,11);3-6H2,1-2H3;2-5H,1H3,(H,8,10);3-4H,1-2H3,(H,8,9);3-5H,2H2,1H3;3-5H2,1-2H3,(H,7,8);1-2H3,(H,4,5);1-2H3;1-2H3;1-2H3;1-2H2;1H4
InChIKeyLGHHTIHFZNWGOP-UHFFFAOYSA-N
XLogP20.00
TPSA545.73 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002926.43
LogP ≤ 520.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one?
The IUPAC name of 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one (CID 159342402) is 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one.
What is the SMILES notation for 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one?
The canonical SMILES for 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one is C.C=C.CC.CC(=O)N1CCN(C)CC1.CC(C)=O.CCC(=O)c1ccc(Br)o1.CCC(=O)c1ccccc1.CCC(=O)c1ccco1.CCCCC(=O)NC.CCN(CC)CCCCCCC(=O)NC.CNC(=O)CN1CCN(C)CC1.CNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)o1.CNC(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccc(C)o1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1ccc(CN2CCN(C)CC2)cc1.CNC(=O)c1cccnc1.CNC(=O)c1cnccc1I.CNC(C)=O.COC.
What is the InChIKey of 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one?
The InChIKey is LGHHTIHFZNWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2C14H21N3O.C14H13NO.C12H26N2O.C9H10O.C8H17N3O.C7H7BrO2.C7H7IN2O.C7H14N2O.C7H8N2O.C7H9NO2.C7H8O2.C6H13NO.C3H7NO.C3H6O.C2H6O.C2H6.C2H4.CH4/c1-19-17(22)16-8-7-15(24-16)13-3-5-14(6-4-13)18(23)21-11-9-20(2)10-12-21;2*1-15-14(18)13-5-3-12(4-6-13)11-17-9-7-16(2)8-10-17;1-15-14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-14(5-2)11-9-7-6-8-10-12(15)13-3;1-2-9(10)8-6-4-3-5-7-8;1-9-8(12)7-11-5-3-10(2)4-6-11;1-2-5(9)6-3-4-7(8)10-6;1-9-7(11)5-4-10-3-2-6(5)8;1-7(10)9-5-3-8(2)4-6-9;1-8-7(10)6-3-2-4-9-5-6;1-5-3-4-6(10-5)7(9)8-2;1-2-6(8)7-4-3-5-9-7;1-3-4-5-6(8)7-2;1-3(5)4-2;1-3(2)4;1-3-2;2*1-2;/h3-8H,9-12H2,1-2H3,(H,19,22);2*3-6H,7-11H2,1-2H3,(H,15,18);2-10H,1H3,(H,15,16);4-11H2,1-3H3,(H,13,15);3-7H,2H2,1H3;3-7H2,1-2H3,(H,9,12);3-4H,2H2,1H3;2-4H,1H3,(H,9,11);3-6H2,1-2H3;2-5H,1H3,(H,8,10);3-4H,1-2H3,(H,8,9);3-5H,2H2,1H3;3-5H2,1-2H3,(H,7,8);1-2H3,(H,4,5);1-2H3;1-2H3;1-2H3;1-2H2;1H4.
What are the key properties of 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one?
1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one has a molecular weight of 2926.43 g/mol, XLogP of 20.00, 34 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)propan-1-one;7-(diethylamino)-N-methylheptanamide;N,5-dimethylfuran-2-carboxamide;ethane;ethene;1-(furan-2-yl)propan-1-one;4-iodo-N-methylpyridine-3-carboxamide;methane;methoxymethane;N-methylacetamide;N-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;bis(N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide);N-methylpentanamide;N-methyl-4-phenylbenzamide;1-(4-methylpiperazin-1-yl)ethanone;N-methylpyridine-3-carboxamide;1-phenylpropan-1-one;propan-2-one is sourced from PubChem (CID 159342402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).