(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C15H20N2O2 — CID 107221687

IUPAC(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O2/c18-14-8-4-3-7-12(14)17-15(19)13-9-10-5-1-2-6-11(10)16-13/h1-2,5-6,12-14,16,18H,3-4,7-9H2,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyFCXRKTPTMQGQBY-IHRRRGAJSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds2

About (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 107221687) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID107221687
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O2/c18-14-8-4-3-7-12(14)17-15(19)13-9-10-5-1-2-6-11(10)16-13/h1-2,5-6,12-14,16,18H,3-4,7-9H2,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyFCXRKTPTMQGQBY-IHRRRGAJSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178008
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 76985611
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107852883
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 107221687) is (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FCXRKTPTMQGQBY-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-8-4-3-7-12(14)17-15(19)13-9-10-5-1-2-6-11(10)16-13/h1-2,5-6,12-14,16,18H,3-4,7-9H2,(H,17,19)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 107221687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).