2-amino-N-ethyl-3,5-dimethoxybenzamide

C11H16N2O3 — CID 112606069

IUPAC2-amino-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C11H16N2O3/c1-4-13-11(14)8-5-7(15-2)6-9(16-3)10(8)12/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyDGVWOLZSOQKWGW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-N-ethyl-3,5-dimethoxybenzamide

2-amino-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 112606069) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,5-dimethoxybenzamide
PubChem CID112606069
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-ethyl-3,5-dimethoxybenzamide
SMILESCCNC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C11H16N2O3/c1-4-13-11(14)8-5-7(15-2)6-9(16-3)10(8)12/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyDGVWOLZSOQKWGW-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 115950623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-3,5-dimethoxybenzamide (CID 112606069) is 2-amino-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-3,5-dimethoxybenzamide is CCNC(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-N-ethyl-3,5-dimethoxybenzamide?
The InChIKey is DGVWOLZSOQKWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-13-11(14)8-5-7(15-2)6-9(16-3)10(8)12/h5-6H,4,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-ethyl-3,5-dimethoxybenzamide?
2-amino-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 112606069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).