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

C14H18N2O2 — CID 61149060

IUPAC(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H18N2O2/c17-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,15,17)/t11?,13-/m0/s1
InChIKeyIABBVGGWAKZYFT-YUZLPWPTSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds3

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

(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61149060) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61149060
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H18N2O2/c17-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,15,17)/t11?,13-/m0/s1
InChIKeyIABBVGGWAKZYFT-YUZLPWPTSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163649
(3S)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896399
(2S)-N-(oxolan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 44666751
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107852883
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
(1R)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096305
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61149060) is (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCC1CCCO1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IABBVGGWAKZYFT-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,15,17)/t11?,13-/m0/s1.
What are the key properties of (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61149060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).