N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide

C16H23NO4 — CID 110789647

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCO2)c(OC)cc1C
InChIInChI=1S/C16H23NO4/c1-11-9-15(20-3)12(10-14(11)19-2)6-7-17-16(18)13-5-4-8-21-13/h9-10,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyYPTRTGIXINMVHD-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 110789647) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID110789647
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCO2)c(OC)cc1C
InChIInChI=1S/C16H23NO4/c1-11-9-15(20-3)12(10-14(11)19-2)6-7-17-16(18)13-5-4-8-21-13/h9-10,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyYPTRTGIXINMVHD-UHFFFAOYSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110788813
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 24643621
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]cyclobutanecarboxamide
CID 110788802
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide (CID 110789647) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide is COc1cc(CCNC(=O)C2CCCO2)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is YPTRTGIXINMVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-9-15(20-3)12(10-14(11)19-2)6-7-17-16(18)13-5-4-8-21-13/h9-10,13H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).