N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide

C30H37N3O2 — CID 3368699

IUPACN-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide
SMILESCCc1ccc(NC(=O)NC(C(=O)NCCC(c2ccccc2)c2ccccc2)C(C)CC)cc1
InChIInChI=1S/C30H37N3O2/c1-4-22(3)28(33-30(35)32-26-18-16-23(5-2)17-19-26)29(34)31-21-20-27(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,27-28H,4-5,20-21H2,1-3H3,(H,31,34)(H2,32,33,35)
InChIKeyKZDZRNXCBQFSAE-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.12
Rot. Bonds11

About N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide

N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide (PubChem CID 3368699) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide
PubChem CID3368699
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide
SMILESCCc1ccc(NC(=O)NC(C(=O)NCCC(c2ccccc2)c2ccccc2)C(C)CC)cc1
InChIInChI=1S/C30H37N3O2/c1-4-22(3)28(33-30(35)32-26-18-16-23(5-2)17-19-26)29(34)31-21-20-27(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,27-28H,4-5,20-21H2,1-3H3,(H,31,34)(H2,32,33,35)
InChIKeyKZDZRNXCBQFSAE-UHFFFAOYSA-N
XLogP6.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 42703936
2-[(4-ethylphenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 4669965
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616772
3-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-(1-phenylethyl)pentanamide
CID 42703995
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide
CID 42757934
3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]pentanoic acid
CID 4517788
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887293

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide (CID 3368699) is N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide is CCc1ccc(NC(=O)NC(C(=O)NCCC(c2ccccc2)c2ccccc2)C(C)CC)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide?
The InChIKey is KZDZRNXCBQFSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-4-22(3)28(33-30(35)32-26-18-16-23(5-2)17-19-26)29(34)31-21-20-27(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,27-28H,4-5,20-21H2,1-3H3,(H,31,34)(H2,32,33,35).
What are the key properties of N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide?
N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide has a molecular weight of 471.65 g/mol, XLogP of 6.12, 11 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-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide is sourced from PubChem (CID 3368699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).