4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide

C15H20ClNO3 — CID 2914846

IUPAC4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C15H20ClNO3/c16-12-5-7-13(8-6-12)19-10-2-4-15(18)17-11-14-3-1-9-20-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyGJYSWKJUXJTIND-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.79
Rot. Bonds7

About 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide

4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 2914846) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID2914846
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C15H20ClNO3/c16-12-5-7-13(8-6-12)19-10-2-4-15(18)17-11-14-3-1-9-20-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyGJYSWKJUXJTIND-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide (CID 2914846) is 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is GJYSWKJUXJTIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-12-5-7-13(8-6-12)19-10-2-4-15(18)17-11-14-3-1-9-20-14/h5-8,14H,1-4,9-11H2,(H,17,18).
What are the key properties of 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide?
4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 297.78 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 2914846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).