5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide

C13H19NO4 — CID 114281672

IUPAC5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
SMILESCOc1ccc(CO)cc1OCCCCC(N)=O
InChIInChI=1S/C13H19NO4/c1-17-11-6-5-10(9-15)8-12(11)18-7-3-2-4-13(14)16/h5-6,8,15H,2-4,7,9H2,1H3,(H2,14,16)
InChIKeyMTRJIZNHVAZLFL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds8

About 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide

5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide (PubChem CID 114281672) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide.

Molecular Properties

Compound Name5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
PubChem CID114281672
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
SMILESCOc1ccc(CO)cc1OCCCCC(N)=O
InChIInChI=1S/C13H19NO4/c1-17-11-6-5-10(9-15)8-12(11)18-7-3-2-4-13(14)16/h5-6,8,15H,2-4,7,9H2,1H3,(H2,14,16)
InChIKeyMTRJIZNHVAZLFL-UHFFFAOYSA-N
XLogP1.22
TPSA81.78 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
CID 107744699
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
6-[5-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylhexanenitrile
CID 106712921
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144

Frequently Asked Questions

What is the IUPAC name of 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide?
The IUPAC name of 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide (CID 114281672) is 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide.
What is the SMILES notation for 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide?
The canonical SMILES for 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide is COc1ccc(CO)cc1OCCCCC(N)=O.
What is the InChIKey of 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide?
The InChIKey is MTRJIZNHVAZLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-11-6-5-10(9-15)8-12(11)18-7-3-2-4-13(14)16/h5-6,8,15H,2-4,7,9H2,1H3,(H2,14,16).
What are the key properties of 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide?
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide has a molecular weight of 253.30 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide is sourced from PubChem (CID 114281672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).