2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide

C17H24N2O — CID 105062462

IUPAC2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H24N2O/c20-17(9-13-4-2-1-3-5-13)19-10-14-6-7-15-11-18-12-16(15)8-14/h6-8,13,18H,1-5,9-12H2,(H,19,20)
InChIKeyHNDPWCVFWCEZGS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.88
Rot. Bonds4

About 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide

2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide (PubChem CID 105062462) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
PubChem CID105062462
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H24N2O/c20-17(9-13-4-2-1-3-5-13)19-10-14-6-7-15-11-18-12-16(15)8-14/h6-8,13,18H,1-5,9-12H2,(H,19,20)
InChIKeyHNDPWCVFWCEZGS-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)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

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 146092570
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
3-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906141
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide (CID 105062462) is 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide is O=C(CC1CCCCC1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide?
The InChIKey is HNDPWCVFWCEZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(9-13-4-2-1-3-5-13)19-10-14-6-7-15-11-18-12-16(15)8-14/h6-8,13,18H,1-5,9-12H2,(H,19,20).
What are the key properties of 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide?
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide is sourced from PubChem (CID 105062462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).