N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide

C13H20N2O3 — CID 2452186

IUPACN-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
SMILESCCOc1ccc(NC(=O)CNC)cc1OCC
InChIInChI=1S/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9-14-3/h6-8,14H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyBYEPBHRSIJSTCE-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.64
Rot. Bonds7

About N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide

N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide (PubChem CID 2452186) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
PubChem CID2452186
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
SMILESCCOc1ccc(NC(=O)CNC)cc1OCC
InChIInChI=1S/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9-14-3/h6-8,14H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyBYEPBHRSIJSTCE-UHFFFAOYSA-N
XLogP1.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide (CID 2452186) is N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide is CCOc1ccc(NC(=O)CNC)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide?
The InChIKey is BYEPBHRSIJSTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9-14-3/h6-8,14H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide?
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 2452186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).