(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide

C23H46N2O — CID 142241058

IUPAC(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide
SMILESCN[C@@H](CC(C)C)C(C)CC(C)C(=O)NC(CC1CCCCC1)C(C)C
InChIInChI=1S/C23H46N2O/c1-16(2)13-22(24-7)18(5)14-19(6)23(26)25-21(17(3)4)15-20-11-9-8-10-12-20/h16-22,24H,8-15H2,1-7H3,(H,25,26)/t18?,19?,21?,22-/m0/s1
InChIKeyYKKRJOSQFMOKKR-MMOSCBCDSA-N
MW366.63 g/mol
LogP5.39
Rot. Bonds11

About (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide

(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide (PubChem CID 142241058) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide.

Molecular Properties

Compound Name(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide
PubChem CID142241058
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide
SMILESCN[C@@H](CC(C)C)C(C)CC(C)C(=O)NC(CC1CCCCC1)C(C)C
InChIInChI=1S/C23H46N2O/c1-16(2)13-22(24-7)18(5)14-19(6)23(26)25-21(17(3)4)15-20-11-9-8-10-12-20/h16-22,24H,8-15H2,1-7H3,(H,25,26)/t18?,19?,21?,22-/m0/s1
InChIKeyYKKRJOSQFMOKKR-MMOSCBCDSA-N
XLogP5.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide with MolForge

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Related Compounds

(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
1-cyclopropyl-N,3-dimethylbutan-2-amine
CID 64903822
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-methylpentanamide
CID 10458991
tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-(methylamino)-6-oxohexan-2-yl]carbamate
CID 15045750
(2R)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)butanediamide
CID 67840502
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
CID 163408455
tert-butyl N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10456779

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide?
The IUPAC name of (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide (CID 142241058) is (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide.
What is the SMILES notation for (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide?
The canonical SMILES for (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide is CN[C@@H](CC(C)C)C(C)CC(C)C(=O)NC(CC1CCCCC1)C(C)C.
What is the InChIKey of (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide?
The InChIKey is YKKRJOSQFMOKKR-MMOSCBCDSA-N. The full InChI is InChI=1S/C23H46N2O/c1-16(2)13-22(24-7)18(5)14-19(6)23(26)25-21(17(3)4)15-20-11-9-8-10-12-20/h16-22,24H,8-15H2,1-7H3,(H,25,26)/t18?,19?,21?,22-/m0/s1.
What are the key properties of (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide?
(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide has a molecular weight of 366.63 g/mol, XLogP of 5.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide is sourced from PubChem (CID 142241058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).