N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea

C55H109N11O9 — CID 145131174

IUPACN-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea
SMILESCC(C)C(C=O)N(C)C.CC(C)C(N)C=O.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC.CCCNC(N)=O.CNC(C)C(=O)Nc1ccc(CC(CN)NC=O)cc1
InChIInChI=1S/C22H43N3O4.C14H22N4O2.C7H15NO.C5H11NO.C4H10N2O.C3H8/c1-9-16(4)21(24(6)20(27)14-23-5)18(28-7)13-19(26)25-12-10-11-17(25)22(29-8)15(2)3;1-10(16-2)14(20)18-12-5-3-11(4-6-12)7-13(8-15)17-9-19;1-6(2)7(5-9)8(3)4;1-4(2)5(6)3-7;1-2-3-6-4(5)7;1-3-2/h15-18,21-23H,9-14H2,1-8H3;3-6,9-10,13,16H,7-8,15H2,1-2H3,(H,17,19)(H,18,20);5-7H,1-4H3;3-5H,6H2,1-2H3;2-3H2,1H3,(H3,5,6,7);3H2,1-2H3
InChIKeyNEQFRWAXXOFDMK-UHFFFAOYSA-N
MW1068.54 g/mol
LogP4.42
Rot. Bonds27

About N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea

N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea (PubChem CID 145131174) has the molecular formula C55H109N11O9 and a molecular weight of 1068.54 g/mol. Its IUPAC name is N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea.

Molecular Properties

Compound NameN-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea
PubChem CID145131174
Molecular FormulaC55H109N11O9
Molecular Weight1068.54 g/mol
Exact Mass1067.84
IUPAC NameN-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea
SMILESCC(C)C(C=O)N(C)C.CC(C)C(N)C=O.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC.CCCNC(N)=O.CNC(C)C(=O)Nc1ccc(CC(CN)NC=O)cc1
InChIInChI=1S/C22H43N3O4.C14H22N4O2.C7H15NO.C5H11NO.C4H10N2O.C3H8/c1-9-16(4)21(24(6)20(27)14-23-5)18(28-7)13-19(26)25-12-10-11-17(25)22(29-8)15(2)3;1-10(16-2)14(20)18-12-5-3-11(4-6-12)7-13(8-15)17-9-19;1-6(2)7(5-9)8(3)4;1-4(2)5(6)3-7;1-2-3-6-4(5)7;1-3-2/h15-18,21-23H,9-14H2,1-8H3;3-6,9-10,13,16H,7-8,15H2,1-2H3,(H,17,19)(H,18,20);5-7H,1-4H3;3-5H,6H2,1-2H3;2-3H2,1H3,(H3,5,6,7);3H2,1-2H3
InChIKeyNEQFRWAXXOFDMK-UHFFFAOYSA-N
XLogP4.42
TPSA285.88 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.54
LogP ≤ 54.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea with MolForge

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Related Compounds

4-(2-aminoethyl)aniline;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
CID 144590085
N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]butanamide
CID 130462372
2-formamido-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R)-1-methoxy-2-methylpropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide
CID 146429268
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429035
N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
CID 170585938
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[4-[(2S)-3-azido-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]propyl]phenyl]-5-(carbamoylamino)pentanamide
CID 122463164
2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane
CID 144975194
methyl 2-[[(3R)-3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-(methylamino)acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 146360193
2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene
CID 171621214
3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-N-[[4-(methylamino)phenyl]methylsulfanyl]propanamide
CID 166970020
N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane
CID 145398946
3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-N-[2-[[4-(methylamino)phenyl]methylsulfinylamino]-2-oxoethyl]propanamide
CID 166824121

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea?
The IUPAC name of N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea (CID 145131174) is N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea.
What is the SMILES notation for N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea?
The canonical SMILES for N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea is CC(C)C(C=O)N(C)C.CC(C)C(N)C=O.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC.CCCNC(N)=O.CNC(C)C(=O)Nc1ccc(CC(CN)NC=O)cc1.
What is the InChIKey of N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea?
The InChIKey is NEQFRWAXXOFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O4.C14H22N4O2.C7H15NO.C5H11NO.C4H10N2O.C3H8/c1-9-16(4)21(24(6)20(27)14-23-5)18(28-7)13-19(26)25-12-10-11-17(25)22(29-8)15(2)3;1-10(16-2)14(20)18-12-5-3-11(4-6-12)7-13(8-15)17-9-19;1-6(2)7(5-9)8(3)4;1-4(2)5(6)3-7;1-2-3-6-4(5)7;1-3-2/h15-18,21-23H,9-14H2,1-8H3;3-6,9-10,13,16H,7-8,15H2,1-2H3,(H,17,19)(H,18,20);5-7H,1-4H3;3-5H,6H2,1-2H3;2-3H2,1H3,(H3,5,6,7);3H2,1-2H3.
What are the key properties of N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea?
N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea has a molecular weight of 1068.54 g/mol, XLogP of 4.42, 27 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-2-formamidopropyl)phenyl]-2-(methylamino)propanamide;2-amino-3-methylbutanal;2-(dimethylamino)-3-methylbutanal;N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide;propane;propylurea is sourced from PubChem (CID 145131174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).