(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H22N2O — CID 64599096

IUPAC(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)C(C)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-10(2)11(3)9-16-15(18)14-8-12-6-4-5-7-13(12)17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,16,18)/t11?,14-/m0/s1
InChIKeyDFLQAFDUFUVWNM-IAXJKZSUSA-N
MW246.35 g/mol
LogP2.43
Rot. Bonds4

About (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 64599096) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID64599096
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)C(C)CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-10(2)11(3)9-16-15(18)14-8-12-6-4-5-7-13(12)17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,16,18)/t11?,14-/m0/s1
InChIKeyDFLQAFDUFUVWNM-IAXJKZSUSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
(2S)-N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 66089072
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
2-[[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]methyl]butanoic acid
CID 65224491
2-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]butanoic acid
CID 77061382
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
CID 107222792
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
CID 81072634
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 64599096) is (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is CC(C)C(C)CNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DFLQAFDUFUVWNM-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)11(3)9-16-15(18)14-8-12-6-4-5-7-13(12)17-14/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,16,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 64599096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).