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

C15H21NO3 — CID 47380053

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H21NO3/c1-11-8-12(2)10-13(9-11)18-7-5-16-15(17)14-4-3-6-19-14/h8-10,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyWLXMJPADHCSIJD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds5

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

N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide (PubChem CID 47380053) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
PubChem CID47380053
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H21NO3/c1-11-8-12(2)10-13(9-11)18-7-5-16-15(17)14-4-3-6-19-14/h8-10,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyWLXMJPADHCSIJD-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
CID 113102317
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide (CID 47380053) is N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide is Cc1cc(C)cc(OCCNC(=O)C2CCCO2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is WLXMJPADHCSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-8-12(2)10-13(9-11)18-7-5-16-15(17)14-4-3-6-19-14/h8-10,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 47380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).