(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide

C15H24N2O — CID 124874045

IUPAC(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@@H]1CCCc2[nH]ccc21
InChIInChI=1S/C15H24N2O/c1-3-4-6-11(2)15(18)17-14-8-5-7-13-12(14)9-10-16-13/h9-11,14,16H,3-8H2,1-2H3,(H,17,18)/t11-,14+/m0/s1
InChIKeyPHVPNCNROWFNQR-SMDDNHRTSA-N
MW248.37 g/mol
LogP3.33
Rot. Bonds5

About (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide

(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide (PubChem CID 124874045) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide
PubChem CID124874045
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@@H]1CCCc2[nH]ccc21
InChIInChI=1S/C15H24N2O/c1-3-4-6-11(2)15(18)17-14-8-5-7-13-12(14)9-10-16-13/h9-11,14,16H,3-8H2,1-2H3,(H,17,18)/t11-,14+/m0/s1
InChIKeyPHVPNCNROWFNQR-SMDDNHRTSA-N
XLogP3.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11525099
N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
CID 82176212
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)hexanoic acid
CID 62843727
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 165486516
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide
CID 81107697
N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
CID 167894801
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
2-methyl-N-propan-2-ylhexanamide
CID 19752015
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide?
The IUPAC name of (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide (CID 124874045) is (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide?
The canonical SMILES for (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide is CCCC[C@H](C)C(=O)N[C@@H]1CCCc2[nH]ccc21.
What is the InChIKey of (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide?
The InChIKey is PHVPNCNROWFNQR-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-6-11(2)15(18)17-14-8-5-7-13-12(14)9-10-16-13/h9-11,14,16H,3-8H2,1-2H3,(H,17,18)/t11-,14+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide?
(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide is sourced from PubChem (CID 124874045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).