2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide

C12H18N2O4 — CID 79464071

IUPAC2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COCCN)cc(OC)c1
InChIInChI=1S/C12H18N2O4/c1-16-10-5-9(6-11(7-10)17-2)14-12(15)8-18-4-3-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyIZGADYWCMZFIMJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.62
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide

2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 79464071) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID79464071
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COCCN)cc(OC)c1
InChIInChI=1S/C12H18N2O4/c1-16-10-5-9(6-11(7-10)17-2)14-12(15)8-18-4-3-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyIZGADYWCMZFIMJ-UHFFFAOYSA-N
XLogP0.62
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide (CID 79464071) is 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)COCCN)cc(OC)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is IZGADYWCMZFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-10-5-9(6-11(7-10)17-2)14-12(15)8-18-4-3-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide?
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 79464071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).