N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

C17H24ClNO2 — CID 63391425

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCCl)C2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-21-16-9-7-14(8-10-16)13-17(20)19(12-11-18)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3
InChIKeyMQUCAKROJONQMI-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide (PubChem CID 63391425) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
PubChem CID63391425
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCCl)C2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-21-16-9-7-14(8-10-16)13-17(20)19(12-11-18)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3
InChIKeyMQUCAKROJONQMI-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
methyl 3-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884758
N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 23512954
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide (CID 63391425) is N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N(CCCl)C2CCCCC2)cc1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is MQUCAKROJONQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-21-16-9-7-14(8-10-16)13-17(20)19(12-11-18)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 63391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).