N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

C16H24N2O — CID 80567400

IUPACN-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H24N2O/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyZRTMPSPDBVPKDA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 80567400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID80567400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C16H24N2O/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyZRTMPSPDBVPKDA-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894730
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895076
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894894
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76904091
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 80567400) is N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is CCC(C)CN(CC)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ZRTMPSPDBVPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12(3)11-18(5-2)16(19)15-10-13-8-6-7-9-14(13)17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 80567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).