N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide

C17H22N2O2 — CID 53159991

IUPACN-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
SMILESCCCCNC(=O)c1cccc2c1CCN2C(=O)C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-10-18-16(20)14-5-4-6-15-13(14)9-11-19(15)17(21)12-7-8-12/h4-6,12H,2-3,7-11H2,1H3,(H,18,20)
InChIKeyOYPXARYMWJCTHP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds5

About N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide

N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 53159991) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
PubChem CID53159991
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
SMILESCCCCNC(=O)c1cccc2c1CCN2C(=O)C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-10-18-16(20)14-5-4-6-15-13(14)9-11-19(15)17(21)12-7-8-12/h4-6,12H,2-3,7-11H2,1H3,(H,18,20)
InChIKeyOYPXARYMWJCTHP-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
1-(cyclopropanecarbonyl)-N-cyclopropyl-2,3-dihydroindole-4-carboxamide
CID 53014581
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea
CID 56789348
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159955
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide (CID 53159991) is N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide is CCCCNC(=O)c1cccc2c1CCN2C(=O)C1CC1.
What is the InChIKey of N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is OYPXARYMWJCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-10-18-16(20)14-5-4-6-15-13(14)9-11-19(15)17(21)12-7-8-12/h4-6,12H,2-3,7-11H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide?
N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).