N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide

C14H20N2O — CID 115158841

IUPACN-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CNC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-9-4-10(2)13(11(3)5-9)8-16-14(17)12-6-15-7-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyOTNYAIUHIOYPNY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds3

About N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide

N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide (PubChem CID 115158841) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
PubChem CID115158841
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CNC2)c(C)c1
InChIInChI=1S/C14H20N2O/c1-9-4-10(2)13(11(3)5-9)8-16-14(17)12-6-15-7-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyOTNYAIUHIOYPNY-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
CID 130762934

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide (CID 115158841) is N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide is Cc1cc(C)c(CNC(=O)C2CNC2)c(C)c1.
What is the InChIKey of N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is OTNYAIUHIOYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-4-10(2)13(11(3)5-9)8-16-14(17)12-6-15-7-12/h4-5,12,15H,6-8H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 115158841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).