methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate

C15H20ClNO3 — CID 43423685

IUPACmethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C15H20ClNO3/c1-4-9-15(2,14(19)20-3)17-13(18)10-11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHFOAIELVDUEZAS-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.73
Rot. Bonds6

About methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate (PubChem CID 43423685) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
PubChem CID43423685
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C15H20ClNO3/c1-4-9-15(2,14(19)20-3)17-13(18)10-11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHFOAIELVDUEZAS-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
1-chloro-3-methylbenzene;methyl 2-acetamido-2-methylpentanoate
CID 174325893
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423735
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate (CID 43423685) is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cc1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate?
The InChIKey is HFOAIELVDUEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-4-9-15(2,14(19)20-3)17-13(18)10-11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate has a molecular weight of 297.78 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43423685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).