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

C15H20N2O2 — CID 61163649

IUPAC(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCOC1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O2/c18-15(16-9-11-4-3-7-19-10-11)14-8-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,16,18)/t11?,14-/m0/s1
InChIKeyQTDBEGGMROUZBJ-IAXJKZSUSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds3

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

(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61163649) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61163649
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCC1CCCOC1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O2/c18-15(16-9-11-4-3-7-19-10-11)14-8-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,16,18)/t11?,14-/m0/s1
InChIKeyQTDBEGGMROUZBJ-IAXJKZSUSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149060
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 80567431
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
(3S)-N-(oxan-4-ylmethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 125167141
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61163649) is (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCC1CCCOC1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is QTDBEGGMROUZBJ-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(16-9-11-4-3-7-19-10-11)14-8-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,16,18)/t11?,14-/m0/s1.
What are the key properties of (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61163649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).