(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide

C85H79ClN6O6 — CID 159703025

IUPAC(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1.Cc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2.C28H25ClN2O2.C28H26N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24;1-31(24-16-14-23(29)15-17-24)28(33)26(18-20-8-3-2-4-9-20)30-27(32)19-22-12-7-11-21-10-5-6-13-25(21)22;1-30(24-16-6-3-7-17-24)28(32)26(19-21-11-4-2-5-12-21)29-27(31)20-23-15-10-14-22-13-8-9-18-25(22)23/h3-18,27H,19-20H2,1-2H3,(H,30,32);2-17,26H,18-19H2,1H3,(H,30,32);2-18,26H,19-20H2,1H3,(H,29,31)/t27-;2*26-/m000/s1
InChIKeyMXWDQWJROXMNHX-XKHZKMRPSA-N
MW1316.06 g/mol
LogP15.28
Rot. Bonds21

About (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide

(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide (PubChem CID 159703025) has the molecular formula C85H79ClN6O6 and a molecular weight of 1316.06 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
PubChem CID159703025
Molecular FormulaC85H79ClN6O6
Molecular Weight1316.06 g/mol
Exact Mass1314.57
IUPAC Name(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1.Cc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2.C28H25ClN2O2.C28H26N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24;1-31(24-16-14-23(29)15-17-24)28(33)26(18-20-8-3-2-4-9-20)30-27(32)19-22-12-7-11-21-10-5-6-13-25(21)22;1-30(24-16-6-3-7-17-24)28(32)26(19-21-11-4-2-5-12-21)29-27(31)20-23-15-10-14-22-13-8-9-18-25(22)23/h3-18,27H,19-20H2,1-2H3,(H,30,32);2-17,26H,18-19H2,1H3,(H,30,32);2-18,26H,19-20H2,1H3,(H,29,31)/t27-;2*26-/m000/s1
InChIKeyMXWDQWJROXMNHX-XKHZKMRPSA-N
XLogP15.28
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001316.06
LogP ≤ 515.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide with MolForge

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739
(2S)-N-(3-chlorophenyl)-2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 163202275
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162471120
2-(benzenesulfinylcarbamoylamino)-N-(4-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 144836008
(2S)-2-[[(3-chlorophenyl)-methylsulfinamoyl]carbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648469
(2S)-2-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]-N-methyl-N-(4-methylphenyl)-3-phenylpropanamide
CID 163202113
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide (CID 159703025) is (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide is CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1.Cc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide?
The InChIKey is MXWDQWJROXMNHX-XKHZKMRPSA-N. The full InChI is InChI=1S/C29H28N2O2.C28H25ClN2O2.C28H26N2O2/c1-21-15-17-25(18-16-21)31(2)29(33)27(19-22-9-4-3-5-10-22)30-28(32)20-24-13-8-12-23-11-6-7-14-26(23)24;1-31(24-16-14-23(29)15-17-24)28(33)26(18-20-8-3-2-4-9-20)30-27(32)19-22-12-7-11-21-10-5-6-13-25(21)22;1-30(24-16-6-3-7-17-24)28(32)26(19-21-11-4-2-5-12-21)29-27(31)20-23-15-10-14-22-13-8-9-18-25(22)23/h3-18,27H,19-20H2,1-2H3,(H,30,32);2-17,26H,18-19H2,1H3,(H,30,32);2-18,26H,19-20H2,1H3,(H,29,31)/t27-;2*26-/m000/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide?
(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide has a molecular weight of 1316.06 g/mol, XLogP of 15.28, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide is sourced from PubChem (CID 159703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).