(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide

C30H35N3O3 — CID 58843180

IUPAC(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCC1CCCC1
InChIInChI=1S/C30H35N3O3/c34-29(31-20-10-15-23-11-7-8-12-23)28(21-24-13-3-1-4-14-24)33-30(35)32-25-16-9-19-27(22-25)36-26-17-5-2-6-18-26/h1-6,9,13-14,16-19,22-23,28H,7-8,10-12,15,20-21H2,(H,31,34)(H2,32,33,35)/t28-/m0/s1
InChIKeyMBOVUKPWRWUXDE-NDEPHWFRSA-N
MW485.63 g/mol
LogP6.30
Rot. Bonds11

About (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide

(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 58843180) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
PubChem CID58843180
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCC1CCCC1
InChIInChI=1S/C30H35N3O3/c34-29(31-20-10-15-23-11-7-8-12-23)28(21-24-13-3-1-4-14-24)33-30(35)32-25-16-9-19-27(22-25)36-26-17-5-2-6-18-26/h1-6,9,13-14,16-19,22-23,28H,7-8,10-12,15,20-21H2,(H,31,34)(H2,32,33,35)/t28-/m0/s1
InChIKeyMBOVUKPWRWUXDE-NDEPHWFRSA-N
XLogP6.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-cyclopropylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902528
N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 42696561
1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106016510
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-(3-phenoxyphenyl)propanediamide
CID 10272647
(3S)-3-(3-cyclohexylpropylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 101199390
N-(6-aminohexyl)-3-phenyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 69109708
(2R)-N-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]-3-phenylpropanamide
CID 95342005
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide (CID 58843180) is (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide is O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCC1CCCC1.
What is the InChIKey of (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is MBOVUKPWRWUXDE-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H35N3O3/c34-29(31-20-10-15-23-11-7-8-12-23)28(21-24-13-3-1-4-14-24)33-30(35)32-25-16-9-19-27(22-25)36-26-17-5-2-6-18-26/h1-6,9,13-14,16-19,22-23,28H,7-8,10-12,15,20-21H2,(H,31,34)(H2,32,33,35)/t28-/m0/s1.
What are the key properties of (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide?
(2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 485.63 g/mol, XLogP of 6.30, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclopentylpropyl)-2-[(3-phenoxyphenyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 58843180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).