4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide

C13H19NO4 — CID 2811297

IUPAC4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide
SMILESCOc1ccc(OCCNC(=O)CCCO)cc1
InChIInChI=1S/C13H19NO4/c1-17-11-4-6-12(7-5-11)18-10-8-14-13(16)3-2-9-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyUTTCPXUACMXJMZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.96
Rot. Bonds8

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

4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide (PubChem CID 2811297) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide
PubChem CID2811297
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide
SMILESCOc1ccc(OCCNC(=O)CCCO)cc1
InChIInChI=1S/C13H19NO4/c1-17-11-4-6-12(7-5-11)18-10-8-14-13(16)3-2-9-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyUTTCPXUACMXJMZ-UHFFFAOYSA-N
XLogP0.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.96
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

Mefexamide
CID 4045
2-(4-(2-(((2S)-2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide
CID 121877
ethyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 14552586
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
2-(4-methoxyphenoxy)-N-(6-{[(4-methoxyphenoxy)acetyl]amino}hexyl)acetamide
CID 4558233
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methyl-18-phenoxyoctadeca-5,8,11,14-tetraenamide
CID 145978222
N-(3-phenoxypropyl)propanamide
CID 1581116
N-[2-(4-Phenoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 14099779
2-Cyano-N-(2-phenoxyethyl)acetamide
CID 573861
N-(3-methylbutyl)-4-phenoxybutanamide
CID 2164620
N-(3-ethoxypropyl)-4-phenoxybutanamide
CID 2179064

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide (CID 2811297) is 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide is COc1ccc(OCCNC(=O)CCCO)cc1.
What is the InChIKey of 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The InChIKey is UTTCPXUACMXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-11-4-6-12(7-5-11)18-10-8-14-13(16)3-2-9-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide has a molecular weight of 253.30 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]butanamide is sourced from PubChem (CID 2811297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).