(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide

C17H26N2O — CID 106025761

IUPAC(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-3-5-10-14(8-4-2)18-17(20)16-12-13-9-6-7-11-15(13)19-16/h6-7,9,11,14,16,19H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14?,16-/m0/s1
InChIKeyCZOMCAGGXSTUCL-WMCAAGNKSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds7

About (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106025761) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106025761
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-3-5-10-14(8-4-2)18-17(20)16-12-13-9-6-7-11-15(13)19-16/h6-7,9,11,14,16,19H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14?,16-/m0/s1
InChIKeyCZOMCAGGXSTUCL-WMCAAGNKSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
octan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 61301717
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(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
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006

Frequently Asked Questions

What is the IUPAC name of (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 106025761) is (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide is CCCCC(CCC)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is CZOMCAGGXSTUCL-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-10-14(8-4-2)18-17(20)16-12-13-9-6-7-11-15(13)19-16/h6-7,9,11,14,16,19H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14?,16-/m0/s1.
What are the key properties of (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).