2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

C14H17NO4 — CID 3163253

IUPAC2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H17NO4/c16-9-11-3-5-12(6-4-11)19-10-14(17)15-8-13-2-1-7-18-13/h3-6,9,13H,1-2,7-8,10H2,(H,15,17)
InChIKeyQJNPEJZMSXAKQD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds6

About 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3163253) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3163253
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H17NO4/c16-9-11-3-5-12(6-4-11)19-10-14(17)15-8-13-2-1-7-18-13/h3-6,9,13H,1-2,7-8,10H2,(H,15,17)
InChIKeyQJNPEJZMSXAKQD-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)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-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2430743
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-benzaldehyde
CID 894260
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
Benzamide, N-tetrahydrofurfuryl-4-methoxy-
CID 532275
3-Methoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzaldehyde
CID 2517806
2-(4-Formylphenoxy)acetamide
CID 601630
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
2-(4-acetylphenoxy)-N-cycloheptylacetamide
CID 2125230
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(4-ethoxybenzoyl)amino]acetate
CID 2435201

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 3163253) is 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is O=Cc1ccc(OCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QJNPEJZMSXAKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-9-11-3-5-12(6-4-11)19-10-14(17)15-8-13-2-1-7-18-13/h3-6,9,13H,1-2,7-8,10H2,(H,15,17).
What are the key properties of 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 263.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3163253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).