2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide

C13H19N3O4 — CID 83012420

IUPAC2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
SMILESCOc1cc(N)c(C(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C13H19N3O4/c1-18-11-7-9(10(14)8-12(11)19-2)13(17)15-16-3-5-20-6-4-16/h7-8H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyHKRZAFUABJSTGS-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide

2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide (PubChem CID 83012420) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
PubChem CID83012420
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
SMILESCOc1cc(N)c(C(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C13H19N3O4/c1-18-11-7-9(10(14)8-12(11)19-2)13(17)15-16-3-5-20-6-4-16/h7-8H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyHKRZAFUABJSTGS-UHFFFAOYSA-N
XLogP0.26
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-morpholin-4-ylbenzamide
CID 83012888
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
CID 9271097
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
CID 121360080
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
CID 107200771
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide (CID 83012420) is 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide is COc1cc(N)c(C(=O)NN2CCOCC2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide?
The InChIKey is HKRZAFUABJSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-18-11-7-9(10(14)8-12(11)19-2)13(17)15-16-3-5-20-6-4-16/h7-8H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide?
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83012420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).