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

C15H22N2O2 — CID 115158909

IUPACN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-9-5-14(19-4)11(3)10(2)13(9)8-17-15(18)12-6-16-7-12/h5,12,16H,6-8H2,1-4H3,(H,17,18)
InChIKeyWDUUVMOGSQUQQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds4

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

N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide (PubChem CID 115158909) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
PubChem CID115158909
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)C2CNC2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-9-5-14(19-4)11(3)10(2)13(9)8-17-15(18)12-6-16-7-12/h5,12,16H,6-8H2,1-4H3,(H,17,18)
InChIKeyWDUUVMOGSQUQQZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158841
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide (CID 115158909) is N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide is COc1cc(C)c(CNC(=O)C2CNC2)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is WDUUVMOGSQUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-5-14(19-4)11(3)10(2)13(9)8-17-15(18)12-6-16-7-12/h5,12,16H,6-8H2,1-4H3,(H,17,18).
What are the key properties of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide?
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 115158909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).