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

C12H16N2O — CID 76893209

IUPACN-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-3-14(2)12(15)11-8-9-6-4-5-7-10(9)13-11/h4-7,11,13H,3,8H2,1-2H3
InChIKeyOYXOWJBPVNYIBR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.50
Rot. Bonds2

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

N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76893209) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76893209
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C12H16N2O/c1-3-14(2)12(15)11-8-9-6-4-5-7-10(9)13-11/h4-7,11,13H,3,8H2,1-2H3
InChIKeyOYXOWJBPVNYIBR-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659062
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017
(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61162686
(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155770
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567418
(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76893209) is N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CCN(C)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is OYXOWJBPVNYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14(2)12(15)11-8-9-6-4-5-7-10(9)13-11/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76893209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).