N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide

C16H19NO3 — CID 12894057

IUPACN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide
SMILESCc1cccc(C)c1N(C(=O)C1CC1)C1CCOC1=O
InChIInChI=1S/C16H19NO3/c1-10-4-3-5-11(2)14(10)17(15(18)12-6-7-12)13-8-9-20-16(13)19/h3-5,12-13H,6-9H2,1-2H3
InChIKeyGJMONPSULDEHGJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.36
Rot. Bonds3

About N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide

N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide (PubChem CID 12894057) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide
PubChem CID12894057
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide
SMILESCc1cccc(C)c1N(C(=O)C1CC1)C1CCOC1=O
InChIInChI=1S/C16H19NO3/c1-10-4-3-5-11(2)14(10)17(15(18)12-6-7-12)13-8-9-20-16(13)19/h3-5,12-13H,6-9H2,1-2H3
InChIKeyGJMONPSULDEHGJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide (CID 12894057) is N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide is Cc1cccc(C)c1N(C(=O)C1CC1)C1CCOC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide?
The InChIKey is GJMONPSULDEHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-4-3-5-11(2)14(10)17(15(18)12-6-7-12)13-8-9-20-16(13)19/h3-5,12-13H,6-9H2,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide?
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 12894057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).