6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide

C32H41N3O3 — CID 173257972

IUPAC6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide
SMILESCNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C(C)CC(C)CCc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C32H41N3O3/c1-23(13-14-25-11-8-12-28(20-25)34-22-27-9-6-5-7-10-27)19-24(2)31(36)35-30(32(37)33-3)21-26-15-17-29(38-4)18-16-26/h5-12,15-18,20,23-24,30,34H,13-14,19,21-22H2,1-4H3,(H,33,37)(H,35,36)
InChIKeyILRNYRKDUWZTCK-UHFFFAOYSA-N
MW515.70 g/mol
LogP5.38
Rot. Bonds14

About 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide

6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide (PubChem CID 173257972) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide.

Molecular Properties

Compound Name6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide
PubChem CID173257972
Molecular FormulaC32H41N3O3
Molecular Weight515.70 g/mol
Exact Mass515.31
IUPAC Name6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide
SMILESCNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C(C)CC(C)CCc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C32H41N3O3/c1-23(13-14-25-11-8-12-28(20-25)34-22-27-9-6-5-7-10-27)19-24(2)31(36)35-30(32(37)33-3)21-26-15-17-29(38-4)18-16-26/h5-12,15-18,20,23-24,30,34H,13-14,19,21-22H2,1-4H3,(H,33,37)(H,35,36)
InChIKeyILRNYRKDUWZTCK-UHFFFAOYSA-N
XLogP5.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide 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

2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide
CID 166208983
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
[(1R)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methylbutyl]phosphonic acid
CID 10390023
(3R)-3-[[(2S)-3-(4-ethoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-7-(4-methoxyphenoxy)heptanoic acid
CID 18395255
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide?
The IUPAC name of 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide (CID 173257972) is 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide.
What is the SMILES notation for 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide?
The canonical SMILES for 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide is CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)C(C)CC(C)CCc1cccc(NCc2ccccc2)c1.
What is the InChIKey of 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide?
The InChIKey is ILRNYRKDUWZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-23(13-14-25-11-8-12-28(20-25)34-22-27-9-6-5-7-10-27)19-24(2)31(36)35-30(32(37)33-3)21-26-15-17-29(38-4)18-16-26/h5-12,15-18,20,23-24,30,34H,13-14,19,21-22H2,1-4H3,(H,33,37)(H,35,36).
What are the key properties of 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide?
6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide has a molecular weight of 515.70 g/mol, XLogP of 5.38, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzylamino)phenyl]-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2,4-dimethylhexanamide is sourced from PubChem (CID 173257972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).