2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide

C20H22N2O2 — CID 108874681

IUPAC2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-16(10-8-14)19(23)11-12-21-20(24)22-15(2)13-17-5-3-4-6-18(17)22/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyDSWJOSMHGOZYHN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide

2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 108874681) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
PubChem CID108874681
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-16(10-8-14)19(23)11-12-21-20(24)22-15(2)13-17-5-3-4-6-18(17)22/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyDSWJOSMHGOZYHN-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112973581
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
4-bromo-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 42905957
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 82014555
N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108883584
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919735
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 136577432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide (CID 108874681) is 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide is Cc1ccc(C(=O)CCNC(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DSWJOSMHGOZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-9-16(10-8-14)19(23)11-12-21-20(24)22-15(2)13-17-5-3-4-6-18(17)22/h3-10,15H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide?
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108874681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).