2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

C23H26N2O2 — CID 10808642

IUPAC2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-16-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(27)25(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,24,26)
InChIKeyZWOOHBXPHKRDEZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.88
Rot. Bonds5

About 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (PubChem CID 10808642) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
PubChem CID10808642
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-16-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(27)25(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,24,26)
InChIKeyZWOOHBXPHKRDEZ-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-2-cyclopentyl-1-oxo-4-N-(2-phenylethyl)-3,4-dihydroisoquinoline-3,4-dicarboxamide
CID 137389804
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
2-cyclopentyl-1-oxo-N-(2-phenylethyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 20873242
benzyl 2-[[(1S)-2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl]amino]acetate
CID 94828218
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
N-butan-2-yl-2-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 4279148
3-[(4-chlorophenyl)methoxymethyl]-2-cyclopentyl-1-oxo-N-(2-phenylethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 68503392
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53243914
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708
N-[(4-hydroxyphenyl)methyl]-2-(oxan-4-yl)-3-oxo-1H-isoindole-1-carboxamide
CID 70943708
methyl 2-[[2-[(2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580852

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (CID 10808642) is 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is O=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The InChIKey is ZWOOHBXPHKRDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(24-16-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(27)25(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,24,26).
What are the key properties of 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 10808642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).