4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide

C13H20N2O4 — CID 107074165

IUPAC4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-18-7-5-15(6-8-19-2)13(17)10-3-4-11(14)12(16)9-10/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyWCLFMCJLUCNHEY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.71
Rot. Bonds7

About 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide

4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 107074165) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
PubChem CID107074165
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-18-7-5-15(6-8-19-2)13(17)10-3-4-11(14)12(16)9-10/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyWCLFMCJLUCNHEY-UHFFFAOYSA-N
XLogP0.71
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
N-(3-amino-3-sulfanylidenepropyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107728389
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide (CID 107074165) is 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is WCLFMCJLUCNHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-7-5-15(6-8-19-2)13(17)10-3-4-11(14)12(16)9-10/h3-4,9,16H,5-8,14H2,1-2H3.
What are the key properties of 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide?
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 107074165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).