N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide

C13H26N2O2 — CID 64541698

IUPACN-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
SMILESCC(O)C(N)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNYKIMCOKRSERNL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds6

About N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide

N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide (PubChem CID 64541698) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
PubChem CID64541698
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
SMILESCC(O)C(N)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNYKIMCOKRSERNL-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide (CID 64541698) is N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide is CC(O)C(N)CNC(=O)CCC1CCCCC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide?
The InChIKey is NYKIMCOKRSERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h10-12,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide?
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 64541698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).