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

C22H26N2O — CID 143736687

IUPACN-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CCC(c2ccc(NC(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H26N2O/c1-16-6-8-17(9-7-16)18-10-12-20(13-11-18)23-22(25)24-15-14-19-4-2-3-5-21(19)24/h2-5,10-13,16-17H,6-9,14-15H2,1H3,(H,23,25)
InChIKeyATWYMOZGXXVTSS-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.57
Rot. Bonds2

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

N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 143736687) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID143736687
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CCC(c2ccc(NC(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H26N2O/c1-16-6-8-17(9-7-16)18-10-12-20(13-11-18)23-22(25)24-15-14-19-4-2-3-5-21(19)24/h2-5,10-13,16-17H,6-9,14-15H2,1H3,(H,23,25)
InChIKeyATWYMOZGXXVTSS-UHFFFAOYSA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 58064565
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 143736687) is N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC1CCC(c2ccc(NC(=O)N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is ATWYMOZGXXVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-6-8-17(9-7-16)18-10-12-20(13-11-18)23-22(25)24-15-14-19-4-2-3-5-21(19)24/h2-5,10-13,16-17H,6-9,14-15H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 143736687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).