2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

C14H19N3O4 — CID 62923869

IUPAC2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCOc1ccc(C(C)=O)cc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(18)10-3-4-12(21-2)11(5-10)6-17(7-13(15)19)8-14(16)20/h3-5H,6-8H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyQCGSTGRAAUOREK-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.33
Rot. Bonds8

About 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62923869) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62923869
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCOc1ccc(C(C)=O)cc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(18)10-3-4-12(21-2)11(5-10)6-17(7-13(15)19)8-14(16)20/h3-5H,6-8H2,1-2H3,(H2,15,19)(H2,16,20)
InChIKeyQCGSTGRAAUOREK-UHFFFAOYSA-N
XLogP-0.33
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
3-[(5-acetyl-2-methoxyphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 60691394
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
CID 8766908

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 62923869) is 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is COc1ccc(C(C)=O)cc1CN(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is QCGSTGRAAUOREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(18)10-3-4-12(21-2)11(5-10)6-17(7-13(15)19)8-14(16)20/h3-5H,6-8H2,1-2H3,(H2,15,19)(H2,16,20).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 293.32 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62923869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).