(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O2 — CID 113426017

IUPAC(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c1-9(8-16)15(2)13(17)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14,16H,7-8H2,1-2H3/t9?,12-/m0/s1
InChIKeyPXVQHORADHALAQ-ACGXKRRESA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds3

About (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 113426017) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID113426017
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c1-9(8-16)15(2)13(17)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14,16H,7-8H2,1-2H3/t9?,12-/m0/s1
InChIKeyPXVQHORADHALAQ-ACGXKRRESA-N
XLogP0.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659434
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893844
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 113426017) is (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CC(CO)N(C)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PXVQHORADHALAQ-ACGXKRRESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(8-16)15(2)13(17)12-7-10-5-3-4-6-11(10)14-12/h3-6,9,12,14,16H,7-8H2,1-2H3/t9?,12-/m0/s1.
What are the key properties of (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 113426017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).