(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide

C29H27ClN2O2 — CID 155411076

IUPAC(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide
SMILESO=CN(c1cccc2ccccc12)[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C29H27ClN2O2/c30-25-17-15-23(16-18-25)20-28(29(34)31-19-7-10-22-8-2-1-3-9-22)32(21-33)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-18,21,28H,7,10,19-20H2,(H,31,34)/t28-/m0/s1
InChIKeySOAQDRDIHQAVBP-NDEPHWFRSA-N
MW471.00 g/mol
LogP5.82
Rot. Bonds10

About (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide

(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide (PubChem CID 155411076) has the molecular formula C29H27ClN2O2 and a molecular weight of 471.00 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide
PubChem CID155411076
Molecular FormulaC29H27ClN2O2
Molecular Weight471.00 g/mol
Exact Mass470.18
IUPAC Name(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide
SMILESO=CN(c1cccc2ccccc12)[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C29H27ClN2O2/c30-25-17-15-23(16-18-25)20-28(29(34)31-19-7-10-22-8-2-1-3-9-22)32(21-33)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-18,21,28H,7,10,19-20H2,(H,31,34)/t28-/m0/s1
InChIKeySOAQDRDIHQAVBP-NDEPHWFRSA-N
XLogP5.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-chlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-3-phenylpropanamide
CID 133231555
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
(2S)-3-(4-chlorophenyl)-2-[[(2-ethenylphenyl)-methylcarbamoyl]amino]-N-(3-phenylpropyl)propanamide
CID 155427822
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214649
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641892
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100640258
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133258771
2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenyl-N-propylpropanamide
CID 132621350
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 133214509

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide (CID 155411076) is (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide is O=CN(c1cccc2ccccc12)[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is SOAQDRDIHQAVBP-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H27ClN2O2/c30-25-17-15-23(16-18-25)20-28(29(34)31-19-7-10-22-8-2-1-3-9-22)32(21-33)27-14-6-12-24-11-4-5-13-26(24)27/h1-6,8-9,11-18,21,28H,7,10,19-20H2,(H,31,34)/t28-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide?
(2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 471.00 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-[formyl(naphthalen-1-yl)amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 155411076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).