N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide

C17H27N3O — CID 76894730

IUPACN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H27N3O/c1-13(2)12-20(10-9-19(3)4)17(21)16-11-14-7-5-6-8-15(14)18-16/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyWESRCQHRZWDSJU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76894730) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76894730
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H27N3O/c1-13(2)12-20(10-9-19(3)4)17(21)16-11-14-7-5-6-8-15(14)18-16/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyWESRCQHRZWDSJU-UHFFFAOYSA-N
XLogP2.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894437
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156300
(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893844

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76894730) is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide is CC(C)CN(CCN(C)C)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is WESRCQHRZWDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)12-20(10-9-19(3)4)17(21)16-11-14-7-5-6-8-15(14)18-16/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76894730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).