2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C18H27NO3 — CID 111331644

IUPAC2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H27NO3/c1-13-7-8-16(22-3)15(11-13)14(2)19-17(20)12-18(21)9-5-4-6-10-18/h7-8,11,14,21H,4-6,9-10,12H2,1-3H3,(H,19,20)
InChIKeyCNQFOUIXUJWPNJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.27
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 111331644) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID111331644
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H27NO3/c1-13-7-8-16(22-3)15(11-13)14(2)19-17(20)12-18(21)9-5-4-6-10-18/h7-8,11,14,21H,4-6,9-10,12H2,1-3H3,(H,19,20)
InChIKeyCNQFOUIXUJWPNJ-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 40896538
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-(1-hydroxycyclopentyl)-N-(2-methoxy-4-methylphenyl)acetamide
CID 111537056
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
2-(azetidin-3-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 64615985
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 111331644) is 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1C(C)NC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is CNQFOUIXUJWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13-7-8-16(22-3)15(11-13)14(2)19-17(20)12-18(21)9-5-4-6-10-18/h7-8,11,14,21H,4-6,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 111331644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).