2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide

C20H39NO2 — CID 10314256

IUPAC2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
SMILESCCCCCCCN(CCCCCO)C(=O)CC1CCCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-10-15-21(16-11-7-12-17-22)20(23)18-19-13-8-6-9-14-19/h19,22H,2-18H2,1H3
InChIKeyXOJGSYXYBLDYOZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP4.92
Rot. Bonds13

About 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide

2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide (PubChem CID 10314256) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
PubChem CID10314256
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
SMILESCCCCCCCN(CCCCCO)C(=O)CC1CCCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-10-15-21(16-11-7-12-17-22)20(23)18-19-13-8-6-9-14-19/h19,22H,2-18H2,1H3
InChIKeyXOJGSYXYBLDYOZ-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
CID 55117109
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
CID 82326113
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
CID 79853666
1-cyclohexylnonan-2-one
CID 22768059

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide (CID 10314256) is 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide is CCCCCCCN(CCCCCO)C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide?
The InChIKey is XOJGSYXYBLDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-2-3-4-5-10-15-21(16-11-7-12-17-22)20(23)18-19-13-8-6-9-14-19/h19,22H,2-18H2,1H3.
What are the key properties of 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide?
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide has a molecular weight of 325.54 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 10314256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).