N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide

C12H16N2O4 — CID 47210225

IUPACN-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(N)=O)cc1OC
InChIInChI=1S/C12H16N2O4/c1-14(7-11(13)15)12(16)8-4-5-9(17-2)10(6-8)18-3/h4-6H,7H2,1-3H3,(H2,13,15)
InChIKeyOPYDPWBEBNRDOO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.26
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide

N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 47210225) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID47210225
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(N)=O)cc1OC
InChIInChI=1S/C12H16N2O4/c1-14(7-11(13)15)12(16)8-4-5-9(17-2)10(6-8)18-3/h4-6H,7H2,1-3H3,(H2,13,15)
InChIKeyOPYDPWBEBNRDOO-UHFFFAOYSA-N
XLogP0.26
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
CID 3340367
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide (CID 47210225) is N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(N)=O)cc1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is OPYDPWBEBNRDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(7-11(13)15)12(16)8-4-5-9(17-2)10(6-8)18-3/h4-6H,7H2,1-3H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 252.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 47210225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).