N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide

C15H21NO2 — CID 2970814

IUPACN-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCO2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-13(9-11(10)2)12(3)16-15(17)14-5-4-8-18-14/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyCAXVXLIMLXPGLH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide

N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 2970814) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID2970814
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCO2)cc1C
InChIInChI=1S/C15H21NO2/c1-10-6-7-13(9-11(10)2)12(3)16-15(17)14-5-4-8-18-14/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyCAXVXLIMLXPGLH-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide (CID 2970814) is N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide is Cc1ccc(C(C)NC(=O)C2CCCO2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is CAXVXLIMLXPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-13(9-11(10)2)12(3)16-15(17)14-5-4-8-18-14/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide?
N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 2970814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).