4-[3-(hydroxymethyl)phenoxy]butanamide

C11H15NO3 — CID 123197567

IUPAC4-[3-(hydroxymethyl)phenoxy]butanamide
SMILESNC(=O)CCCOc1cccc(CO)c1
InChIInChI=1S/C11H15NO3/c12-11(14)5-2-6-15-10-4-1-3-9(7-10)8-13/h1,3-4,7,13H,2,5-6,8H2,(H2,12,14)
InChIKeyAQDAHMSFSZENQT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.82
Rot. Bonds6

About 4-[3-(hydroxymethyl)phenoxy]butanamide

4-[3-(hydroxymethyl)phenoxy]butanamide (PubChem CID 123197567) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenoxy]butanamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenoxy]butanamide
PubChem CID123197567
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-[3-(hydroxymethyl)phenoxy]butanamide
SMILESNC(=O)CCCOc1cccc(CO)c1
InChIInChI=1S/C11H15NO3/c12-11(14)5-2-6-15-10-4-1-3-9(7-10)8-13/h1,3-4,7,13H,2,5-6,8H2,(H2,12,14)
InChIKeyAQDAHMSFSZENQT-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.82
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

4-(3-ethylphenoxy)butanamide
CID 82040637
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
4-(3-pentadecylphenoxy)butanamide
CID 22354511
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
3-(3-chlorophenoxy)propanamide
CID 23512799
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenoxy]butanamide?
The IUPAC name of 4-[3-(hydroxymethyl)phenoxy]butanamide (CID 123197567) is 4-[3-(hydroxymethyl)phenoxy]butanamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenoxy]butanamide?
The canonical SMILES for 4-[3-(hydroxymethyl)phenoxy]butanamide is NC(=O)CCCOc1cccc(CO)c1.
What is the InChIKey of 4-[3-(hydroxymethyl)phenoxy]butanamide?
The InChIKey is AQDAHMSFSZENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-11(14)5-2-6-15-10-4-1-3-9(7-10)8-13/h1,3-4,7,13H,2,5-6,8H2,(H2,12,14).
What are the key properties of 4-[3-(hydroxymethyl)phenoxy]butanamide?
4-[3-(hydroxymethyl)phenoxy]butanamide has a molecular weight of 209.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenoxy]butanamide is sourced from PubChem (CID 123197567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).