3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide

C11H22N2O3 — CID 107202880

IUPAC3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)CCCCCO
InChIInChI=1S/C11H22N2O3/c1-10(15)12-7-6-11(16)13(2)8-4-3-5-9-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeyNORTVEAULCYGNS-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.13
Rot. Bonds8

About 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide

3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide (PubChem CID 107202880) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
PubChem CID107202880
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)CCCCCO
InChIInChI=1S/C11H22N2O3/c1-10(15)12-7-6-11(16)13(2)8-4-3-5-9-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeyNORTVEAULCYGNS-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
CID 43407517
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide (CID 107202880) is 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide is CC(=O)NCCC(=O)N(C)CCCCCO.
What is the InChIKey of 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide?
The InChIKey is NORTVEAULCYGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(15)12-7-6-11(16)13(2)8-4-3-5-9-14/h14H,3-9H2,1-2H3,(H,12,15).
What are the key properties of 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide?
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide is sourced from PubChem (CID 107202880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).