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

C15H22N2O3 — CID 54811659

IUPAC2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-19-13-7-5-12(6-8-13)16-11-15(18)17-10-14-4-3-9-20-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyKZJZANSTBGHLOJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds7

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

2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 54811659) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID54811659
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-19-13-7-5-12(6-8-13)16-11-15(18)17-10-14-4-3-9-20-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyKZJZANSTBGHLOJ-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyanilino)-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-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
N,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2913013
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 54811659) is 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccc(NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KZJZANSTBGHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-13-7-5-12(6-8-13)16-11-15(18)17-10-14-4-3-9-20-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 54811659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).