[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate

C27H31ClN2O3 — CID 152799423

IUPAC[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate
SMILESCC(C)C[C@@H](COC(=O)Cc1ccc2ccccc2c1)N(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C27H31ClN2O3/c1-19(2)14-24(30(3)27(32)29-17-23-10-6-7-11-25(23)28)18-33-26(31)16-20-12-13-21-8-4-5-9-22(21)15-20/h4-13,15,19,24H,14,16-18H2,1-3H3,(H,29,32)/t24-/m0/s1
InChIKeySNBSUYJAEYEHAT-DEOSSOPVSA-N
MW467.01 g/mol
LogP5.84
Rot. Bonds9

About [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate

[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate (PubChem CID 152799423) has the molecular formula C27H31ClN2O3 and a molecular weight of 467.01 g/mol. Its IUPAC name is [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate
PubChem CID152799423
Molecular FormulaC27H31ClN2O3
Molecular Weight467.01 g/mol
Exact Mass466.20
IUPAC Name[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate
SMILESCC(C)C[C@@H](COC(=O)Cc1ccc2ccccc2c1)N(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C27H31ClN2O3/c1-19(2)14-24(30(3)27(32)29-17-23-10-6-7-11-25(23)28)18-33-26(31)16-20-12-13-21-8-4-5-9-22(21)15-20/h4-13,15,19,24H,14,16-18H2,1-3H3,(H,29,32)/t24-/m0/s1
InChIKeySNBSUYJAEYEHAT-DEOSSOPVSA-N
XLogP5.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate with MolForge

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Related Compounds

[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-hydroxybutyl] 2-isoquinolin-3-ylacetate
CID 157275661
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]butyl N-isoquinolin-3-ylcarbamate
CID 76654859
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632417
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213573
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
iodo 2-naphthalen-2-ylacetate
CID 129274840
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213399
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide
CID 10817360

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate?
The IUPAC name of [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate (CID 152799423) is [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate.
What is the SMILES notation for [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate?
The canonical SMILES for [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate is CC(C)C[C@@H](COC(=O)Cc1ccc2ccccc2c1)N(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate?
The InChIKey is SNBSUYJAEYEHAT-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H31ClN2O3/c1-19(2)14-24(30(3)27(32)29-17-23-10-6-7-11-25(23)28)18-33-26(31)16-20-12-13-21-8-4-5-9-22(21)15-20/h4-13,15,19,24H,14,16-18H2,1-3H3,(H,29,32)/t24-/m0/s1.
What are the key properties of [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate?
[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate has a molecular weight of 467.01 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-methylpentyl] 2-naphthalen-2-ylacetate is sourced from PubChem (CID 152799423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).