N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane

C23H30N2O — CID 176960927

IUPACN-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(C2CCCCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O.C2H6/c24-21(23-14-18-8-4-5-9-19(18)15-23)22-20-12-10-17(11-13-20)16-6-2-1-3-7-16;1-2/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,22,24);1-2H3
InChIKeyUFICQLHZYRDSRI-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.31
Rot. Bonds2

About N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane

N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane (PubChem CID 176960927) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
PubChem CID176960927
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(C2CCCCC2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O.C2H6/c24-21(23-14-18-8-4-5-9-19(18)15-23)22-20-12-10-17(11-13-20)16-6-2-1-3-7-16;1-2/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,22,24);1-2H3
InChIKeyUFICQLHZYRDSRI-UHFFFAOYSA-N
XLogP6.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 86665079
N-(4-cyclohexylphenyl)-5-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 58794091
(4-cyclopentylphenyl)urea
CID 130193151
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 86665076
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane?
The IUPAC name of N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane (CID 176960927) is N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane.
What is the SMILES notation for N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane?
The canonical SMILES for N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane is CC.O=C(Nc1ccc(C2CCCCC2)cc1)N1Cc2ccccc2C1.
What is the InChIKey of N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane?
The InChIKey is UFICQLHZYRDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.C2H6/c24-21(23-14-18-8-4-5-9-19(18)15-23)22-20-12-10-17(11-13-20)16-6-2-1-3-7-16;1-2/h4-5,8-13,16H,1-3,6-7,14-15H2,(H,22,24);1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane?
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane has a molecular weight of 350.51 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane is sourced from PubChem (CID 176960927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).