N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H25N3O3 — CID 55787282

IUPACN-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)ccc21
InChIInChI=1S/C22H25N3O3/c1-4-20(26)25-12-11-15-13-16(5-10-19(15)25)22(28)24-18-8-6-17(7-9-18)23-21(27)14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeySURCLFQEOLTUKW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.83
Rot. Bonds5

About N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55787282) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55787282
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)ccc21
InChIInChI=1S/C22H25N3O3/c1-4-20(26)25-12-11-15-13-16(5-10-19(15)25)22(28)24-18-8-6-17(7-9-18)23-21(27)14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeySURCLFQEOLTUKW-UHFFFAOYSA-N
XLogP3.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55787282) is N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)ccc21.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SURCLFQEOLTUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-20(26)25-12-11-15-13-16(5-10-19(15)25)22(28)24-18-8-6-17(7-9-18)23-21(27)14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55787282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).