2-amino-N,N-diethyl-4,5-dimethoxybenzamide

C13H20N2O3 — CID 16776188

IUPAC2-amino-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H20N2O3/c1-5-15(6-2)13(16)9-7-11(17-3)12(18-4)8-10(9)14/h7-8H,5-6,14H2,1-4H3
InChIKeyAPKOODISWJVGST-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-N,N-diethyl-4,5-dimethoxybenzamide

2-amino-N,N-diethyl-4,5-dimethoxybenzamide (PubChem CID 16776188) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4,5-dimethoxybenzamide
PubChem CID16776188
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H20N2O3/c1-5-15(6-2)13(16)9-7-11(17-3)12(18-4)8-10(9)14/h7-8H,5-6,14H2,1-4H3
InChIKeyAPKOODISWJVGST-UHFFFAOYSA-N
XLogP1.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-diethyl-4,5-dimethoxybenzamide 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

2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N,N-diethyl-4,5-dimethoxybenzamide (CID 16776188) is 2-amino-N,N-diethyl-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N,N-diethyl-4,5-dimethoxybenzamide is CCN(CC)C(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-amino-N,N-diethyl-4,5-dimethoxybenzamide?
The InChIKey is APKOODISWJVGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-15(6-2)13(16)9-7-11(17-3)12(18-4)8-10(9)14/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 2-amino-N,N-diethyl-4,5-dimethoxybenzamide?
2-amino-N,N-diethyl-4,5-dimethoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-4,5-dimethoxybenzamide is sourced from PubChem (CID 16776188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).