N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide

C18H27NO3 — CID 111460021

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H27NO3/c1-13(16-8-3-4-9-17(16)22-2)10-18(21)19-12-14-6-5-7-15(20)11-14/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3,(H,19,21)
InChIKeyQOOCOKUTWWWIQR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.86
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide

N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide (PubChem CID 111460021) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
PubChem CID111460021
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H27NO3/c1-13(16-8-3-4-9-17(16)22-2)10-18(21)19-12-14-6-5-7-15(20)11-14/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3,(H,19,21)
InChIKeyQOOCOKUTWWWIQR-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111506241
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide (CID 111460021) is N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide?
The InChIKey is QOOCOKUTWWWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(16-8-3-4-9-17(16)22-2)10-18(21)19-12-14-6-5-7-15(20)11-14/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide?
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide has a molecular weight of 305.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 111460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).