5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide

C29H32N2O — CID 58064565

IUPAC5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C29H32N2O/c1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)18-19-31(28)29(32)30-27-6-4-3-5-7-27/h3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,30,32)
InChIKeyCZVINVYCGGSIPE-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.63
Rot. Bonds4

About 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide

5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 58064565) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID58064565
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C29H32N2O/c1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)18-19-31(28)29(32)30-27-6-4-3-5-7-27/h3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,30,32)
InChIKeyCZVINVYCGGSIPE-UHFFFAOYSA-N
XLogP7.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 58064602
2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 58064394
7-(4-cyclohexylphenyl)-N-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 70854021
2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064355
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
5-(4-cyclohexylphenyl)-N-(2-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 70854071
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064521
2-[4-[4-[4-(phenylcarbamoyl)-2-propyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064510
7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 70854155
N-benzyl-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064691
2-[4-[4-[1-(phenylcarbamoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclohexyl]acetic acid
CID 58064474

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide (CID 58064565) is 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is CZVINVYCGGSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)18-19-31(28)29(32)30-27-6-4-3-5-7-27/h3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,30,32).
What are the key properties of 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide?
5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 7.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 58064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).