N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

C108H171N15O27 — CID 158903209

IUPACN-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCNC(=O)C(=C)C.C=CC(=O)CC(O)C(O)NC(=O)C=C.C=CC(=O)CCCCOCC(COCCCCCC)(COCCCCCC)NC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCNC(=O)C=C.C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C26H47NO5.C19H27N3O4.C16H28N2O5.C13H19N3O3.C9H14N2O2.C9H13NO4.C9H13NO2.C7H10N2O2/c1-5-9-11-14-18-30-21-26(27-25(29)8-4,22-31-19-15-12-10-6-2)23-32-20-16-13-17-24(28)7-3;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-6(2)8(12)10-5-11-9(13)7(3)4;1-3-6(11)5-7(12)9(14)10-8(13)4-2;1-3-8(11)6-5-7-10-9(12)4-2;1-3-6(10)8-5-9-7(11)4-2/h7-8H,3-6,9-23H2,1-2H3,(H,27,29);5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-14H2,(H,17,19)(H,18,20);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1,3,5H2,2,4H3,(H,10,12)(H,11,13);3-4,7,9,12,14H,1-2,5H2,(H,10,13);3-4H,1-2,5-7H2,(H,10,12);3-4H,1-2,5H2,(H,8,10)(H,9,11)
InChIKeyJFSBNIUXIHJIKV-UHFFFAOYSA-N
MW2111.63 g/mol
LogP5.86
Rot. Bonds83

About N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (PubChem CID 158903209) has the molecular formula C108H171N15O27 and a molecular weight of 2111.63 g/mol. Its IUPAC name is N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
PubChem CID158903209
Molecular FormulaC108H171N15O27
Molecular Weight2111.63 g/mol
Exact Mass2110.25
IUPAC NameN-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCNC(=O)C(=C)C.C=CC(=O)CC(O)C(O)NC(=O)C=C.C=CC(=O)CCCCOCC(COCCCCCC)(COCCCCCC)NC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCNC(=O)C=C.C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C26H47NO5.C19H27N3O4.C16H28N2O5.C13H19N3O3.C9H14N2O2.C9H13NO4.C9H13NO2.C7H10N2O2/c1-5-9-11-14-18-30-21-26(27-25(29)8-4,22-31-19-15-12-10-6-2)23-32-20-16-13-17-24(28)7-3;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-6(2)8(12)10-5-11-9(13)7(3)4;1-3-6(11)5-7(12)9(14)10-8(13)4-2;1-3-8(11)6-5-7-10-9(12)4-2;1-3-6(10)8-5-9-7(11)4-2/h7-8H,3-6,9-23H2,1-2H3,(H,27,29);5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-14H2,(H,17,19)(H,18,20);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1,3,5H2,2,4H3,(H,10,12)(H,11,13);3-4,7,9,12,14H,1-2,5H2,(H,10,13);3-4H,1-2,5-7H2,(H,10,12);3-4H,1-2,5H2,(H,8,10)(H,9,11)
InChIKeyJFSBNIUXIHJIKV-UHFFFAOYSA-N
XLogP5.86
TPSA574.25 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds83
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002111.63
LogP ≤ 55.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (CID 158903209) is N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is C=C(C)C(=O)NCNC(=O)C(=C)C.C=CC(=O)CC(O)C(O)NC(=O)C=C.C=CC(=O)CCCCOCC(COCCCCCC)(COCCCCCC)NC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCNC(=O)C=C.C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCNC(=O)C=C.
What is the InChIKey of N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The InChIKey is JFSBNIUXIHJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO5.C19H27N3O4.C16H28N2O5.C13H19N3O3.C9H14N2O2.C9H13NO4.C9H13NO2.C7H10N2O2/c1-5-9-11-14-18-30-21-26(27-25(29)8-4,22-31-19-15-12-10-6-2)23-32-20-16-13-17-24(28)7-3;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-6(2)8(12)10-5-11-9(13)7(3)4;1-3-6(11)5-7(12)9(14)10-8(13)4-2;1-3-8(11)6-5-7-10-9(12)4-2;1-3-6(10)8-5-9-7(11)4-2/h7-8H,3-6,9-23H2,1-2H3,(H,27,29);5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-14H2,(H,17,19)(H,18,20);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1,3,5H2,2,4H3,(H,10,12)(H,11,13);3-4,7,9,12,14H,1-2,5H2,(H,10,13);3-4H,1-2,5-7H2,(H,10,12);3-4H,1-2,5H2,(H,8,10)(H,9,11).
What are the key properties of N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide has a molecular weight of 2111.63 g/mol, XLogP of 5.86, 83 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 158903209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).