N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide

C14H29NO2 — CID 107202800

IUPACN-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CCCCCO
InChIInChI=1S/C14H29NO2/c1-4-9-13(10-5-2)14(17)15(3)11-7-6-8-12-16/h13,16H,4-12H2,1-3H3
InChIKeyGWRJGWICHNWORV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.82
Rot. Bonds10

About N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide

N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide (PubChem CID 107202800) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
PubChem CID107202800
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CCCCCO
InChIInChI=1S/C14H29NO2/c1-4-9-13(10-5-2)14(17)15(3)11-7-6-8-12-16/h13,16H,4-12H2,1-3H3
InChIKeyGWRJGWICHNWORV-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.82
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-(5-chloropentyl)-N-methyl-2-propylpentanamide
CID 107205571
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202680
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide (CID 107202800) is N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide?
The InChIKey is GWRJGWICHNWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-9-13(10-5-2)14(17)15(3)11-7-6-8-12-16/h13,16H,4-12H2,1-3H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide?
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide is sourced from PubChem (CID 107202800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).