N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide

C15H20ClNO3 — CID 110788813

IUPACN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C15H20ClNO3/c1-10-8-14(19-2)12(16)9-11(10)5-6-17-15(18)13-4-3-7-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyNJCQSFDJRRGPKW-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide

N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 110788813) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID110788813
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)C2CCCO2)cc1Cl
InChIInChI=1S/C15H20ClNO3/c1-10-8-14(19-2)12(16)9-11(10)5-6-17-15(18)13-4-3-7-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyNJCQSFDJRRGPKW-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 24643621
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
CID 110782930
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide (CID 110788813) is N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide is COc1cc(C)c(CCNC(=O)C2CCCO2)cc1Cl.
What is the InChIKey of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is NJCQSFDJRRGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-8-14(19-2)12(16)9-11(10)5-6-17-15(18)13-4-3-7-20-13/h8-9,13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110788813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).