N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C20H22N2O2 — CID 53080849

IUPACN-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cc(C)ccc3C)ccc21
InChIInChI=1S/C20H22N2O2/c1-4-19(23)22-10-9-15-12-16(7-8-18(15)22)20(24)21-17-11-13(2)5-6-14(17)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyFELQBVRNMVPGSU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.85
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 53080849) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID53080849
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cc(C)ccc3C)ccc21
InChIInChI=1S/C20H22N2O2/c1-4-19(23)22-10-9-15-12-16(7-8-18(15)22)20(24)21-17-11-13(2)5-6-14(17)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyFELQBVRNMVPGSU-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55892243
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047894
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87002069
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55881880
N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160417
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 53080849) is N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3cc(C)ccc3C)ccc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is FELQBVRNMVPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-19(23)22-10-9-15-12-16(7-8-18(15)22)20(24)21-17-11-13(2)5-6-14(17)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 53080849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).