2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate

C18H25NO6 — CID 17339145

IUPAC2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H25NO6/c1-22-11-12-24-18(21)9-8-17(20)19-14-4-6-15(7-5-14)25-13-16-3-2-10-23-16/h4-7,16H,2-3,8-13H2,1H3,(H,19,20)
InChIKeyIEGWHCAVXHAFSH-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.15
Rot. Bonds10

About 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate

2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate (PubChem CID 17339145) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
PubChem CID17339145
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H25NO6/c1-22-11-12-24-18(21)9-8-17(20)19-14-4-6-15(7-5-14)25-13-16-3-2-10-23-16/h4-7,16H,2-3,8-13H2,1H3,(H,19,20)
InChIKeyIEGWHCAVXHAFSH-UHFFFAOYSA-N
XLogP2.15
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate 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

4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
ethyl 4-oxo-4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]butanoate
CID 4958052
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate?
The IUPAC name of 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate (CID 17339145) is 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate.
What is the SMILES notation for 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate?
The canonical SMILES for 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate is COCCOC(=O)CCC(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate?
The InChIKey is IEGWHCAVXHAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-22-11-12-24-18(21)9-8-17(20)19-14-4-6-15(7-5-14)25-13-16-3-2-10-23-16/h4-7,16H,2-3,8-13H2,1H3,(H,19,20).
What are the key properties of 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate?
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate has a molecular weight of 351.40 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate is sourced from PubChem (CID 17339145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).