4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide

C13H19N3O4 — CID 107075942

IUPAC4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H19N3O4/c1-8(12(18)15-5-6-20-2)16-13(19)9-3-4-10(14)11(17)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyUHXDLHUHSQUFMM-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.14
Rot. Bonds6

About 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide

4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 107075942) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID107075942
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H19N3O4/c1-8(12(18)15-5-6-20-2)16-13(19)9-3-4-10(14)11(17)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyUHXDLHUHSQUFMM-UHFFFAOYSA-N
XLogP-0.14
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide (CID 107075942) is 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide is COCCNC(=O)C(C)NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is UHXDLHUHSQUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(12(18)15-5-6-20-2)16-13(19)9-3-4-10(14)11(17)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide?
4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 281.31 g/mol, XLogP of -0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 107075942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).