1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide

C16H22N2O2 — CID 50847617

IUPAC1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N(C(=O)C(C)C)CC2
InChIInChI=1S/C16H22N2O2/c1-4-8-17-15(19)13-6-5-12-7-9-18(14(12)10-13)16(20)11(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyIHKSGJAHRIUOPT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide

1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide (PubChem CID 50847617) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
PubChem CID50847617
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N(C(=O)C(C)C)CC2
InChIInChI=1S/C16H22N2O2/c1-4-8-17-15(19)13-6-5-12-7-9-18(14(12)10-13)16(20)11(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)
InChIKeyIHKSGJAHRIUOPT-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide (CID 50847617) is 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide is CCCNC(=O)c1ccc2c(c1)N(C(=O)C(C)C)CC2.
What is the InChIKey of 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is IHKSGJAHRIUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-8-17-15(19)13-6-5-12-7-9-18(14(12)10-13)16(20)11(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 50847617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).