N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

C15H22N2O — CID 76892094

IUPACN-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-3-5-10-17(4-2)15(18)14-11-12-8-6-7-9-13(12)16-14/h6-9,14,16H,3-5,10-11H2,1-2H3
InChIKeyHDKQQMITHXHXKY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds5

About N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76892094) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76892094
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-3-5-10-17(4-2)15(18)14-11-12-8-6-7-9-13(12)16-14/h6-9,14,16H,3-5,10-11H2,1-2H3
InChIKeyHDKQQMITHXHXKY-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76904091
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156300
N-[2-(methylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893982
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76892094) is N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is CCCCN(CC)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HDKQQMITHXHXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-5-10-17(4-2)15(18)14-11-12-8-6-7-9-13(12)16-14/h6-9,14,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76892094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).