N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide

C17H34N2O3 — CID 70439627

IUPACN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-3-4-10-16(21)19(2)12-15(20)17(22)14(18)11-13-8-6-5-7-9-13/h13-15,17,20,22H,3-12,18H2,1-2H3/t14-,15-,17+/m0/s1
InChIKeyACXHUMJKIDVVOX-YQQAZPJKSA-N
MW314.47 g/mol
LogP1.65
Rot. Bonds9

About N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide

N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide (PubChem CID 70439627) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide
PubChem CID70439627
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC NameN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-3-4-10-16(21)19(2)12-15(20)17(22)14(18)11-13-8-6-5-7-9-13/h13-15,17,20,22H,3-12,18H2,1-2H3/t14-,15-,17+/m0/s1
InChIKeyACXHUMJKIDVVOX-YQQAZPJKSA-N
XLogP1.65
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
2-cyclohexyl-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide
CID 20608406
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide?
The IUPAC name of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide (CID 70439627) is N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide.
What is the SMILES notation for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide?
The canonical SMILES for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide is CCCCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide?
The InChIKey is ACXHUMJKIDVVOX-YQQAZPJKSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-3-4-10-16(21)19(2)12-15(20)17(22)14(18)11-13-8-6-5-7-9-13/h13-15,17,20,22H,3-12,18H2,1-2H3/t14-,15-,17+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide?
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide has a molecular weight of 314.47 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-N-methylpentanamide is sourced from PubChem (CID 70439627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).