N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide

C12H15N3O4 — CID 54475671

IUPACN-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)NC(OC)C(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-18-12(10(13)16)15-11(17)9-5-3-8(4-6-9)7-14-19-2/h3-7,12H,1-2H3,(H2,13,16)(H,15,17)
InChIKeyXLKACMZRCVMZGT-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.15
Rot. Bonds6

About N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide

N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide (PubChem CID 54475671) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide
PubChem CID54475671
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)NC(OC)C(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-18-12(10(13)16)15-11(17)9-5-3-8(4-6-9)7-14-19-2/h3-7,12H,1-2H3,(H2,13,16)(H,15,17)
InChIKeyXLKACMZRCVMZGT-UHFFFAOYSA-N
XLogP-0.15
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
CID 47101423
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556
2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
CID 86932919
N-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612
4-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 134029250
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 134026280
N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
CID 103598921
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide?
The IUPAC name of N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide (CID 54475671) is N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide?
The canonical SMILES for N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide is CON=Cc1ccc(C(=O)NC(OC)C(N)=O)cc1.
What is the InChIKey of N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide?
The InChIKey is XLKACMZRCVMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-12(10(13)16)15-11(17)9-5-3-8(4-6-9)7-14-19-2/h3-7,12H,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide?
N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide has a molecular weight of 265.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 54475671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).