N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide

C30H29ClN2O2 — CID 155427764

IUPACN-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H](CCc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H29ClN2O2/c31-25-18-15-23(16-19-25)17-20-28(30(35)32-21-7-10-22-8-2-1-3-9-22)33-29(34)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-16,18-19,28H,7,10,17,20-21H2,(H,32,35)(H,33,34)/t28-/m0/s1
InChIKeyGNCSFPCPAGAMBO-NDEPHWFRSA-N
MW485.03 g/mol
LogP5.97
Rot. Bonds10

About N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide

N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide (PubChem CID 155427764) has the molecular formula C30H29ClN2O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
PubChem CID155427764
Molecular FormulaC30H29ClN2O2
Molecular Weight485.03 g/mol
Exact Mass484.19
IUPAC NameN-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H](CCc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H29ClN2O2/c31-25-18-15-23(16-19-25)17-20-28(30(35)32-21-7-10-22-8-2-1-3-9-22)33-29(34)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-16,18-19,28H,7,10,17,20-21H2,(H,32,35)(H,33,34)/t28-/m0/s1
InChIKeyGNCSFPCPAGAMBO-NDEPHWFRSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide
CID 155411076
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
CID 123327979
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
2-[2-[3-(4-chlorophenyl)propylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119183491
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide (CID 155427764) is N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide is O=C(N[C@@H](CCc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide?
The InChIKey is GNCSFPCPAGAMBO-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H29ClN2O2/c31-25-18-15-23(16-19-25)17-20-28(30(35)32-21-7-10-22-8-2-1-3-9-22)33-29(34)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-16,18-19,28H,7,10,17,20-21H2,(H,32,35)(H,33,34)/t28-/m0/s1.
What are the key properties of N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide?
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 5.97, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 155427764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).