N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide

C16H22ClNO2 — CID 114297242

IUPACN-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(Cl)CC2)cc1
InChIInChI=1S/C16H22ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-3,9-10,13-14H,4-8,11H2,1H3,(H,18,19)
InChIKeyUKPKNDRJDGWVJC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.29
Rot. Bonds5

About N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide

N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 114297242) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
PubChem CID114297242
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCC(Cl)CC2)cc1
InChIInChI=1S/C16H22ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-3,9-10,13-14H,4-8,11H2,1H3,(H,18,19)
InChIKeyUKPKNDRJDGWVJC-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)propanamide
CID 78910672
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
CID 98783683
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
1-cyclopentyl-3-[3-(4-methoxyphenyl)propanoylamino]thiourea
CID 971187

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide (CID 114297242) is N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCC(Cl)CC2)cc1.
What is the InChIKey of N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is UKPKNDRJDGWVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-3,9-10,13-14H,4-8,11H2,1H3,(H,18,19).
What are the key properties of N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide?
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 114297242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).