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

C12H24N2O2 — CID 64542106

IUPACN-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
SMILESCC(O)C(N)CNC(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)7-10-5-3-2-4-6-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyNTZITSOASOLENX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds5

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

N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide (PubChem CID 64542106) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
PubChem CID64542106
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
SMILESCC(O)C(N)CNC(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)7-10-5-3-2-4-6-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyNTZITSOASOLENX-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
2-cyclopentyl-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447247
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide (CID 64542106) is N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide is CC(O)C(N)CNC(=O)CC1CCCCC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide?
The InChIKey is NTZITSOASOLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(15)11(13)8-14-12(16)7-10-5-3-2-4-6-10/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide?
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 5 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)-2-cyclohexylacetamide is sourced from PubChem (CID 64542106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).