N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide

C15H20ClNO3 — CID 113103038

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCCNC(=O)C2CCCO2)cc(C)c1Cl
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(9-11(2)14(10)16)19-7-5-17-15(18)13-4-3-6-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyLEKZJJDSNNAFKQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide (PubChem CID 113103038) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
PubChem CID113103038
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCCNC(=O)C2CCCO2)cc(C)c1Cl
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(9-11(2)14(10)16)19-7-5-17-15(18)13-4-3-6-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyLEKZJJDSNNAFKQ-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide 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

N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975361
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
CID 113102317
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 2210028
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide (CID 113103038) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide is Cc1cc(OCCNC(=O)C2CCCO2)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is LEKZJJDSNNAFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-8-12(9-11(2)14(10)16)19-7-5-17-15(18)13-4-3-6-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113103038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).