(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide

C22H24N2O2 — CID 68882774

IUPAC(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide
SMILESO=C1N[C@H](C(=O)NC2(Cc3ccccc3)CCCCC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c25-20-18-12-6-5-11-17(18)19(23-20)21(26)24-22(13-7-2-8-14-22)15-16-9-3-1-4-10-16/h1,3-6,9-12,19H,2,7-8,13-15H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyARLDFFVPILZYMK-IBGZPJMESA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds4

About (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide

(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide (PubChem CID 68882774) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide
PubChem CID68882774
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide
SMILESO=C1N[C@H](C(=O)NC2(Cc3ccccc3)CCCCC2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c25-20-18-12-6-5-11-17(18)19(23-20)21(26)24-22(13-7-2-8-14-22)15-16-9-3-1-4-10-16/h1,3-6,9-12,19H,2,7-8,13-15H2,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyARLDFFVPILZYMK-IBGZPJMESA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
(1-benzylcyclopentyl)urea
CID 86790395
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid
CID 166292539
N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893203
N-(1-benzylcyclohexyl)pyrazine-2-carboxamide
CID 110661541
1-benzyl-N-methylcyclobutan-1-amine
CID 89012773
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
CID 166332653
N-(1-benzylcyclopropyl)prop-2-enamide
CID 146108145
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide?
The IUPAC name of (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide (CID 68882774) is (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide.
What is the SMILES notation for (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide?
The canonical SMILES for (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide is O=C1N[C@H](C(=O)NC2(Cc3ccccc3)CCCCC2)c2ccccc21.
What is the InChIKey of (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide?
The InChIKey is ARLDFFVPILZYMK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20-18-12-6-5-11-17(18)19(23-20)21(26)24-22(13-7-2-8-14-22)15-16-9-3-1-4-10-16/h1,3-6,9-12,19H,2,7-8,13-15H2,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide?
(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide is sourced from PubChem (CID 68882774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).