5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide

C12H25NO3 — CID 79209495

IUPAC5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
SMILESCC(C)CCOCCNC(=O)CCCCO
InChIInChI=1S/C12H25NO3/c1-11(2)6-9-16-10-7-13-12(15)5-3-4-8-14/h11,14H,3-10H2,1-2H3,(H,13,15)
InChIKeyLYHFEVDLJSBQMV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds10

About 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide

5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide (PubChem CID 79209495) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
PubChem CID79209495
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
SMILESCC(C)CCOCCNC(=O)CCCCO
InChIInChI=1S/C12H25NO3/c1-11(2)6-9-16-10-7-13-12(15)5-3-4-8-14/h11,14H,3-10H2,1-2H3,(H,13,15)
InChIKeyLYHFEVDLJSBQMV-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
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

9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[2-(3-methylbutoxy)ethyl]-18-[4-(3-methylbutyl)piperazin-1-yl]-14-oxooctadecanamide
CID 159006304
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide (CID 79209495) is 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide is CC(C)CCOCCNC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide?
The InChIKey is LYHFEVDLJSBQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)6-9-16-10-7-13-12(15)5-3-4-8-14/h11,14H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide?
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide is sourced from PubChem (CID 79209495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).