N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide

C13H19N3O5 — CID 10613930

IUPACN-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NN)C(C)O)c(OC)c1
InChIInChI=1S/C13H19N3O5/c1-7(17)11(13(19)16-14)15-12(18)9-5-4-8(20-2)6-10(9)21-3/h4-7,11,17H,14H2,1-3H3,(H,15,18)(H,16,19)/t7?,11-/m0/s1
InChIKeyVAZKEOZOFMIVPS-QRIDDKLISA-N
MW297.31 g/mol
LogP-0.83
Rot. Bonds6

About N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide

N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide (PubChem CID 10613930) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide
PubChem CID10613930
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NN)C(C)O)c(OC)c1
InChIInChI=1S/C13H19N3O5/c1-7(17)11(13(19)16-14)15-12(18)9-5-4-8(20-2)6-10(9)21-3/h4-7,11,17H,14H2,1-3H3,(H,15,18)(H,16,19)/t7?,11-/m0/s1
InChIKeyVAZKEOZOFMIVPS-QRIDDKLISA-N
XLogP-0.83
TPSA122.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837
2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 42703785
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
2,4-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4133565
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide (CID 10613930) is N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H](C(=O)NN)C(C)O)c(OC)c1.
What is the InChIKey of N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is VAZKEOZOFMIVPS-QRIDDKLISA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(17)11(13(19)16-14)15-12(18)9-5-4-8(20-2)6-10(9)21-3/h4-7,11,17H,14H2,1-3H3,(H,15,18)(H,16,19)/t7?,11-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide?
N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 297.31 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 10613930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).