4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide

C15H31NO4 — CID 163400778

IUPAC4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
SMILESCCC(C)CCCOCCOCCNC(=O)CCCO
InChIInChI=1S/C15H31NO4/c1-3-14(2)6-5-10-19-12-13-20-11-8-16-15(18)7-4-9-17/h14,17H,3-13H2,1-2H3,(H,16,18)
InChIKeyGLWJBJUIFBLYID-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.73
Rot. Bonds14

About 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide

4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide (PubChem CID 163400778) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
PubChem CID163400778
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
SMILESCCC(C)CCCOCCOCCNC(=O)CCCO
InChIInChI=1S/C15H31NO4/c1-3-14(2)6-5-10-19-12-13-20-11-8-16-15(18)7-4-9-17/h14,17H,3-13H2,1-2H3,(H,16,18)
InChIKeyGLWJBJUIFBLYID-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
CID 123464565
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide (CID 163400778) is 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide is CCC(C)CCCOCCOCCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide?
The InChIKey is GLWJBJUIFBLYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-3-14(2)6-5-10-19-12-13-20-11-8-16-15(18)7-4-9-17/h14,17H,3-13H2,1-2H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide?
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 1.73, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide is sourced from PubChem (CID 163400778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).