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

C13H20N2O3 — CID 104923410

IUPACN-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-4-15(2)13(17)9-14-8-10-5-6-12(18-3)11(16)7-10/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyFVMOSPKMWHEDNM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.97
Rot. Bonds6

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

N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide (PubChem CID 104923410) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
PubChem CID104923410
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-4-15(2)13(17)9-14-8-10-5-6-12(18-3)11(16)7-10/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyFVMOSPKMWHEDNM-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
2-[(3,5-dimethoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923347
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923577
tert-butyl 2-[(3-hydroxy-4-methoxyphenyl)methylamino]acetate
CID 79003996
N-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylacetamide
CID 104923517
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide (CID 104923410) is N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide is CCN(C)C(=O)CNCc1ccc(OC)c(O)c1.
What is the InChIKey of N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide?
The InChIKey is FVMOSPKMWHEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(2)13(17)9-14-8-10-5-6-12(18-3)11(16)7-10/h5-7,14,16H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide?
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 104923410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).