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

C15H19NO3 — CID 82121626

IUPACN-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)C2CCCO2)cc1C
InChIInChI=1S/C15H19NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyKUNNZQWOVVOMJO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

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

N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 82121626) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID82121626
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)C2CCCO2)cc1C
InChIInChI=1S/C15H19NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyKUNNZQWOVVOMJO-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-dimethylphenyl)-2-oxoethyl]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-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide (CID 82121626) is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide is Cc1ccc(C(=O)CNC(=O)C2CCCO2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is KUNNZQWOVVOMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 82121626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).