N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide

C34H37N3O2 — CID 20707972

IUPACN-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide
SMILESC=C(N)c1cccc(CC(CO)C(CCc2ccccc2)NC(=O)c2ccc(-c3cccc(CN)c3)cc2)c1
InChIInChI=1S/C34H37N3O2/c1-24(36)30-11-5-9-26(19-30)20-32(23-38)33(18-13-25-7-3-2-4-8-25)37-34(39)29-16-14-28(15-17-29)31-12-6-10-27(21-31)22-35/h2-12,14-17,19,21,32-33,38H,1,13,18,20,22-23,35-36H2,(H,37,39)
InChIKeyGLHXKMKXKAHQHP-UHFFFAOYSA-N
MW519.69 g/mol
LogP5.32
Rot. Bonds12

About N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide

N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide (PubChem CID 20707972) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide
PubChem CID20707972
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC NameN-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide
SMILESC=C(N)c1cccc(CC(CO)C(CCc2ccccc2)NC(=O)c2ccc(-c3cccc(CN)c3)cc2)c1
InChIInChI=1S/C34H37N3O2/c1-24(36)30-11-5-9-26(19-30)20-32(23-38)33(18-13-25-7-3-2-4-8-25)37-34(39)29-16-14-28(15-17-29)31-12-6-10-27(21-31)22-35/h2-12,14-17,19,21,32-33,38H,1,13,18,20,22-23,35-36H2,(H,37,39)
InChIKeyGLHXKMKXKAHQHP-UHFFFAOYSA-N
XLogP5.32
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23644703
1-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23644705
5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[(1S)-1-phenylethyl]amino}butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23644707
5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23644708
5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(prop-2-en-1-ylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23647401
5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23647402
1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(2-acetylphenyl)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 23647403
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(piperidine-1-carbonyl)benzamide
CID 71520964
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10207961
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(3-phenylpropylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10280009
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10301415
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
CID 10649344

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide?
The IUPAC name of N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide (CID 20707972) is N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide?
The canonical SMILES for N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide is C=C(N)c1cccc(CC(CO)C(CCc2ccccc2)NC(=O)c2ccc(-c3cccc(CN)c3)cc2)c1.
What is the InChIKey of N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide?
The InChIKey is GLHXKMKXKAHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c1-24(36)30-11-5-9-26(19-30)20-32(23-38)33(18-13-25-7-3-2-4-8-25)37-34(39)29-16-14-28(15-17-29)31-12-6-10-27(21-31)22-35/h2-12,14-17,19,21,32-33,38H,1,13,18,20,22-23,35-36H2,(H,37,39).
What are the key properties of N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide?
N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide has a molecular weight of 519.69 g/mol, XLogP of 5.32, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-[3-(aminomethyl)phenyl]benzamide is sourced from PubChem (CID 20707972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).