N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide

C17H25NO2 — CID 22869139

IUPACN-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide
SMILESCCCC(=O)N[C@@H]1CCC[C@H](c2cccc(OC)c2)C1
InChIInChI=1S/C17H25NO2/c1-3-6-17(19)18-15-9-4-7-13(11-15)14-8-5-10-16(12-14)20-2/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyBFHHAOPFTDYOHR-DZGCQCFKSA-N
MW275.39 g/mol
LogP3.64
Rot. Bonds5

About N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide

N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide (PubChem CID 22869139) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide
PubChem CID22869139
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide
SMILESCCCC(=O)N[C@@H]1CCC[C@H](c2cccc(OC)c2)C1
InChIInChI=1S/C17H25NO2/c1-3-6-17(19)18-15-9-4-7-13(11-15)14-8-5-10-16(12-14)20-2/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyBFHHAOPFTDYOHR-DZGCQCFKSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide?
The IUPAC name of N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide (CID 22869139) is N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide.
What is the SMILES notation for N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide?
The canonical SMILES for N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide is CCCC(=O)N[C@@H]1CCC[C@H](c2cccc(OC)c2)C1.
What is the InChIKey of N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide?
The InChIKey is BFHHAOPFTDYOHR-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-6-17(19)18-15-9-4-7-13(11-15)14-8-5-10-16(12-14)20-2/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide?
N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide has a molecular weight of 275.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide is sourced from PubChem (CID 22869139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).