N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide

C32H33N3O2 — CID 42696561

IUPACN-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H33N3O2/c1-24-12-11-19-28(22-24)34-32(37)35-30(23-25-13-5-2-6-14-25)31(36)33-21-20-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-19,22,29-30H,20-21,23H2,1H3,(H,33,36)(H2,34,35,37)
InChIKeyGNTAMJWDUJLOTM-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.07
Rot. Bonds10

About N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide

N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 42696561) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
PubChem CID42696561
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
SMILESCc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C32H33N3O2/c1-24-12-11-19-28(22-24)34-32(37)35-30(23-25-13-5-2-6-14-25)31(36)33-21-20-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-19,22,29-30H,20-21,23H2,1H3,(H,33,36)(H2,34,35,37)
InChIKeyGNTAMJWDUJLOTM-UHFFFAOYSA-N
XLogP6.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylphenyl)carbamoylamino]propanoic acid
CID 135183756
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
CID 42702046
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
CID 7623387
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 4025824
(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 58843180
(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 941056

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide (CID 42696561) is N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide is Cc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is GNTAMJWDUJLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-24-12-11-19-28(22-24)34-32(37)35-30(23-25-13-5-2-6-14-25)31(36)33-21-20-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-19,22,29-30H,20-21,23H2,1H3,(H,33,36)(H2,34,35,37).
What are the key properties of N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide?
N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 491.64 g/mol, XLogP of 6.07, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 42696561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).