2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H17N3O4 — CID 43310299

IUPAC2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H17N3O4/c1-14-11(16)6-15-12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyMXNCGMGTOBKUPE-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.24
Rot. Bonds5

About 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide

2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 43310299) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID43310299
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H17N3O4/c1-14-11(16)6-15-12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyMXNCGMGTOBKUPE-UHFFFAOYSA-N
XLogP-0.24
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180
[4-(methylamino)-4-oxobutyl] 2-amino-4,5-dimethoxybenzoate
CID 63890602
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
CID 106233325
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 43310299) is 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is MXNCGMGTOBKUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14-11(16)6-15-12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 267.28 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43310299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).