N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C17H23NO3 — CID 65123924

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2COc3ccccc32)C1
InChIInChI=1S/C17H23NO3/c1-12-5-4-8-17(20,9-12)11-18-16(19)14-10-21-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyWAIXQOYKHACBIX-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.22
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 65123924) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID65123924
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2COc3ccccc32)C1
InChIInChI=1S/C17H23NO3/c1-12-5-4-8-17(20,9-12)11-18-16(19)14-10-21-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyWAIXQOYKHACBIX-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide 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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97100987
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 65123865
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 65123924) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CC1CCCC(O)(CNC(=O)C2COc3ccccc32)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is WAIXQOYKHACBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-5-4-8-17(20,9-12)11-18-16(19)14-10-21-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,20H,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65123924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).