N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide

C23H30N2O — CID 142213909

IUPACN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc3c2N(C)CC3)c1
InChIInChI=1S/C23H30N2O/c1-15(2)11-21(19-13-16(3)12-17(4)14-19)24-23(26)20-8-6-7-18-9-10-25(5)22(18)20/h6-8,12-15,21H,9-11H2,1-5H3,(H,24,26)
InChIKeyHCOTUXSKVWRSAX-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide

N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide (PubChem CID 142213909) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide
PubChem CID142213909
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc3c2N(C)CC3)c1
InChIInChI=1S/C23H30N2O/c1-15(2)11-21(19-13-16(3)12-17(4)14-19)24-23(26)20-8-6-7-18-9-10-25(5)22(18)20/h6-8,12-15,21H,9-11H2,1-5H3,(H,24,26)
InChIKeyHCOTUXSKVWRSAX-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-[(3-methyl-1-phenylbutyl)carbamoyl]-2,3-dihydroindol-1-yl]acetic acid
CID 23017239
methyl 4-[(1S)-1-[(1-methyl-2,3-dihydroindole-7-carbonyl)amino]ethyl]benzoate
CID 70896834
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 141063851
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43904826
N-[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]-5-(3-methoxyphenoxy)-2-(4-oxobutyl)benzamide
CID 142214166
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
2-butyl-N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-phenylmethoxybenzamide
CID 142214087
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
CID 23017167
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide (CID 142213909) is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide is Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc3c2N(C)CC3)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide?
The InChIKey is HCOTUXSKVWRSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-15(2)11-21(19-13-16(3)12-17(4)14-19)24-23(26)20-8-6-7-18-9-10-25(5)22(18)20/h6-8,12-15,21H,9-11H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide?
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-1-methyl-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 142213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).