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

C16H22N2O — CID 81390006

IUPAC(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-11(12-6-2-3-7-12)17-16(19)15-10-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,15,18H,2-3,6-7,10H2,1H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyFUEXPPJRDCJVOZ-NHYWBVRUSA-N
MW258.37 g/mol
LogP2.72
Rot. Bonds3

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

(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81390006) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81390006
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-11(12-6-2-3-7-12)17-16(19)15-10-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,15,18H,2-3,6-7,10H2,1H3,(H,17,19)/t11-,15-/m0/s1
InChIKeyFUEXPPJRDCJVOZ-NHYWBVRUSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 81390006) is (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide is C[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCC1.
What is the InChIKey of (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FUEXPPJRDCJVOZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(12-6-2-3-7-12)17-16(19)15-10-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,15,18H,2-3,6-7,10H2,1H3,(H,17,19)/t11-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81390006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).