(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

C16H24N2O — CID 63843181

IUPAC(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H24N2O/c1-4-12(5-2)11(3)17-16(19)15-10-13-8-6-7-9-14(13)18-15/h6-9,11-12,15,18H,4-5,10H2,1-3H3,(H,17,19)/t11?,15-/m0/s1
InChIKeyLPTQHIMZSGUMSY-MHTVFEQDSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 63843181) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID63843181
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H24N2O/c1-4-12(5-2)11(3)17-16(19)15-10-13-8-6-7-9-14(13)18-15/h6-9,11-12,15,18H,4-5,10H2,1-3H3,(H,17,19)/t11?,15-/m0/s1
InChIKeyLPTQHIMZSGUMSY-MHTVFEQDSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
CID 81072634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 63843181) is (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is CCC(CC)C(C)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LPTQHIMZSGUMSY-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12(5-2)11(3)17-16(19)15-10-13-8-6-7-9-14(13)18-15/h6-9,11-12,15,18H,4-5,10H2,1-3H3,(H,17,19)/t11?,15-/m0/s1.
What are the key properties of (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 63843181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).