N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide

C15H22N2O2 — CID 115159032

IUPACN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1cc(C)cc(C)c1CCNC(=O)C1CNC1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)13(14(7-10)19-3)4-5-17-15(18)12-8-16-9-12/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyKMIJDIDIUVCFSZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide

N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide (PubChem CID 115159032) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
PubChem CID115159032
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1cc(C)cc(C)c1CCNC(=O)C1CNC1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)13(14(7-10)19-3)4-5-17-15(18)12-8-16-9-12/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyKMIJDIDIUVCFSZ-UHFFFAOYSA-N
XLogP1.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563
N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158841
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
5-oxo-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 110795309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide (CID 115159032) is N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide is COc1cc(C)cc(C)c1CCNC(=O)C1CNC1.
What is the InChIKey of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide?
The InChIKey is KMIJDIDIUVCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-11(2)13(14(7-10)19-3)4-5-17-15(18)12-8-16-9-12/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide?
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).