2-(4-butoxyphenoxy)acetamide

C12H17NO3 — CID 22974475

IUPAC2-(4-butoxyphenoxy)acetamide
SMILESCCCCOc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)
InChIKeySKPSHDZUODKCIM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-butoxyphenoxy)acetamide

2-(4-butoxyphenoxy)acetamide (PubChem CID 22974475) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)acetamide
PubChem CID22974475
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-butoxyphenoxy)acetamide
SMILESCCCCOc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)
InChIKeySKPSHDZUODKCIM-UHFFFAOYSA-N
XLogP1.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenoxy)acetamide 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

2-(4-nonylphenoxy)acetamide
CID 54388059
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
CID 88969762
CID 88969762
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
acetic acid;butoxybenzene
CID 162338086
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
2-(4-phenoxybutoxy)acetamide
CID 122703944
propyl 4-butoxybenzoate
CID 43389566
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)acetamide (CID 22974475) is 2-(4-butoxyphenoxy)acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)acetamide is CCCCOc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)acetamide?
The InChIKey is SKPSHDZUODKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14).
What are the key properties of 2-(4-butoxyphenoxy)acetamide?
2-(4-butoxyphenoxy)acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)acetamide is sourced from PubChem (CID 22974475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).