1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide

C20H22N2O2 — CID 75371606

IUPAC1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide
SMILESCc1ccc(CCC(=O)N2CC(C(N)=O)c3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-19(23)22-12-17(20(21)24)16-5-3-4-6-18(16)22/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24)
InChIKeyXLIKCTRHGCOLIG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide

1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide (PubChem CID 75371606) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide
PubChem CID75371606
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide
SMILESCc1ccc(CCC(=O)N2CC(C(N)=O)c3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-19(23)22-12-17(20(21)24)16-5-3-4-6-18(16)22/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24)
InChIKeyXLIKCTRHGCOLIG-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513766
1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691732
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513768
2-[3-(2,4-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212794
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124611243
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 82851509
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609743
(4R)-1-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 97063829
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide (CID 75371606) is 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide is Cc1ccc(CCC(=O)N2CC(C(N)=O)c3ccccc32)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide?
The InChIKey is XLIKCTRHGCOLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-19(23)22-12-17(20(21)24)16-5-3-4-6-18(16)22/h3-8,11,17H,9-10,12H2,1-2H3,(H2,21,24).
What are the key properties of 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide?
1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 75371606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).