3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide

C13H20N2O4 — CID 106152027

IUPAC3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O4/c1-18-8-11(3-4-16)15-13(17)9-5-10(14)7-12(6-9)19-2/h5-7,11,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyZEHRPTBQFNMLDF-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.40
Rot. Bonds7

About 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide

3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide (PubChem CID 106152027) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
PubChem CID106152027
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C13H20N2O4/c1-18-8-11(3-4-16)15-13(17)9-5-10(14)7-12(6-9)19-2/h5-7,11,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyZEHRPTBQFNMLDF-UHFFFAOYSA-N
XLogP0.40
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.40
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

3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
N-(4-bromo-1-methoxybutan-2-yl)-3,5-dimethoxybenzamide
CID 106156481
3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide (CID 106152027) is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide is COCC(CCO)NC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide?
The InChIKey is ZEHRPTBQFNMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-8-11(3-4-16)15-13(17)9-5-10(14)7-12(6-9)19-2/h5-7,11,16H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide?
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 106152027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).