2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide

C15H22N2O3 — CID 119553158

IUPAC2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)C1CCNC1
InChIInChI=1S/C15H22N2O3/c1-11-4-5-13(14(8-11)19-3)20-10-15(18)17(2)12-6-7-16-9-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyBDJUJKPLUJFZCP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.20
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119553158) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119553158
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)C1CCNC1
InChIInChI=1S/C15H22N2O3/c1-11-4-5-13(14(8-11)19-3)20-10-15(18)17(2)12-6-7-16-9-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyBDJUJKPLUJFZCP-UHFFFAOYSA-N
XLogP1.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119553158) is 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide is COc1cc(C)ccc1OCC(=O)N(C)C1CCNC1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is BDJUJKPLUJFZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-5-13(14(8-11)19-3)20-10-15(18)17(2)12-6-7-16-9-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119553158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).