N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide

C16H22ClNO — CID 102871873

IUPACN-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C2CCC2)cc1
InChIInChI=1S/C16H22ClNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-3-10-17)15-4-2-5-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyMUOCAGQLPJWGJA-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide

N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide (PubChem CID 102871873) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
PubChem CID102871873
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C2CCC2)cc1
InChIInChI=1S/C16H22ClNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-3-10-17)15-4-2-5-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyMUOCAGQLPJWGJA-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide 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

N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
CID 102871977
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 63391778
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide (CID 102871873) is N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N(CCCCl)C2CCC2)cc1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide?
The InChIKey is MUOCAGQLPJWGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-13-6-8-14(9-7-13)12-16(19)18(11-3-10-17)15-4-2-5-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide?
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide has a molecular weight of 279.81 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 102871873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).