N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide

C15H22N2O2 — CID 115159073

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCN(C)C(=O)C1CNC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-14(19-3)12(8-11)6-7-17(2)15(18)13-9-16-10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyHQYQQPBXSCBENY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide (PubChem CID 115159073) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
PubChem CID115159073
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCN(C)C(=O)C1CNC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-14(19-3)12(8-11)6-7-17(2)15(18)13-9-16-10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyHQYQQPBXSCBENY-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide (CID 115159073) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide is COc1ccc(C)cc1CCN(C)C(=O)C1CNC1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide?
The InChIKey is HQYQQPBXSCBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-14(19-3)12(8-11)6-7-17(2)15(18)13-9-16-10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115159073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).