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

C17H24N2O — CID 81385786

IUPAC(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,16,19H,2-4,7-8,11H2,1H3,(H,18,20)/t12-,16-/m0/s1
InChIKeyHIYTUPQDYLBTEY-LRDDRELGSA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds3

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

(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81385786) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81385786
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,16,19H,2-4,7-8,11H2,1H3,(H,18,20)/t12-,16-/m0/s1
InChIKeyHIYTUPQDYLBTEY-LRDDRELGSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(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-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 81385786) is (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide is C[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)C1CCCCC1.
What is the InChIKey of (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HIYTUPQDYLBTEY-LRDDRELGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h5-6,9-10,12-13,16,19H,2-4,7-8,11H2,1H3,(H,18,20)/t12-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.11, 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-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81385786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).