2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide

C15H24N2O3 — CID 104923342

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(CNCC(=O)N(C)CC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-17(3)15(18)11-16-10-12-7-8-13(19-4)14(9-12)20-6-2/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyQQPLCTJWMRJFBN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds8

About 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 104923342) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID104923342
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(CNCC(=O)N(C)CC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-5-17(3)15(18)11-16-10-12-7-8-13(19-4)14(9-12)20-6-2/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyQQPLCTJWMRJFBN-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-ethyl-2-[2-methoxy-5-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309459
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide (CID 104923342) is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide is CCOc1cc(CNCC(=O)N(C)CC)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is QQPLCTJWMRJFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17(3)15(18)11-16-10-12-7-8-13(19-4)14(9-12)20-6-2/h7-9,16H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104923342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).