3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide

C16H24N2O2 — CID 110478988

IUPAC3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
SMILESCOc1ccc(C2(NC(=O)CCN)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-14-7-5-13(6-8-14)16(10-3-2-4-11-16)18-15(19)9-12-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,19)
InChIKeyBJCBHXCVORXJOB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide

3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide (PubChem CID 110478988) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
PubChem CID110478988
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
SMILESCOc1ccc(C2(NC(=O)CCN)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-14-7-5-13(6-8-14)16(10-3-2-4-11-16)18-15(19)9-12-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,19)
InChIKeyBJCBHXCVORXJOB-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
N-(1-phenylcyclohexyl)butanamide
CID 110478581
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-(4-methoxyphenyl)cyclopentyl]acetamide
CID 71935168
3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51273236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide (CID 110478988) is 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide is COc1ccc(C2(NC(=O)CCN)CCCCC2)cc1.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide?
The InChIKey is BJCBHXCVORXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-14-7-5-13(6-8-14)16(10-3-2-4-11-16)18-15(19)9-12-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide?
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide is sourced from PubChem (CID 110478988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).