N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide

C14H16N2O2 — CID 102676289

IUPACN-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COC(C)C2)c1C#N
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-13(12(9)7-15)16-14(17)11-6-10(2)18-8-11/h3-5,10-11H,6,8H2,1-2H3,(H,16,17)
InChIKeyLDBBNMJVPCKAPF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide

N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide (PubChem CID 102676289) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
PubChem CID102676289
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COC(C)C2)c1C#N
InChIInChI=1S/C14H16N2O2/c1-9-4-3-5-13(12(9)7-15)16-14(17)11-6-10(2)18-8-11/h3-5,10-11H,6,8H2,1-2H3,(H,16,17)
InChIKeyLDBBNMJVPCKAPF-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300
N-(5-bromo-2-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676308
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
5-methyl-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824330
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide (CID 102676289) is N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide is Cc1cccc(NC(=O)C2COC(C)C2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide?
The InChIKey is LDBBNMJVPCKAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-3-5-13(12(9)7-15)16-14(17)11-6-10(2)18-8-11/h3-5,10-11H,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide?
N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102676289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).