2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide

C14H19N3O4 — CID 3117713

IUPAC2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)NNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C14H19N3O4/c1-9(2)8-15-13(19)14(20)17-16-12(18)10-6-4-5-7-11(10)21-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBEXRKUZAYFRCLM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.23
Rot. Bonds4

About 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide

2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide (PubChem CID 3117713) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
PubChem CID3117713
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)NNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C14H19N3O4/c1-9(2)8-15-13(19)14(20)17-16-12(18)10-6-4-5-7-11(10)21-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBEXRKUZAYFRCLM-UHFFFAOYSA-N
XLogP0.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
CID 94262563
N-benzyl-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
CID 3117717
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-methoxybenzohydrazide
CID 24051
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
N-butan-2-yl-2-methoxybenzamide
CID 3117660
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide (CID 3117713) is 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide is COc1ccccc1C(=O)NNC(=O)C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The InChIKey is BEXRKUZAYFRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)8-15-13(19)14(20)17-16-12(18)10-6-4-5-7-11(10)21-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide has a molecular weight of 293.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide is sourced from PubChem (CID 3117713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).