N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide

C14H17N3O4 — CID 8532471

IUPACN-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1C
InChIInChI=1S/C14H17N3O4/c1-8-3-4-9(7-11(8)21-2)12(18)16-17-14(20)13(19)15-10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyZQVVDYGZJNBUGG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.04
Rot. Bonds3

About N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 8532471) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID8532471
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1C
InChIInChI=1S/C14H17N3O4/c1-8-3-4-9(7-11(8)21-2)12(18)16-17-14(20)13(19)15-10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyZQVVDYGZJNBUGG-UHFFFAOYSA-N
XLogP0.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.04
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

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
amino 3-methoxy-4-methylbenzoate
CID 175307316
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
CID 134008259
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide (CID 8532471) is N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide is COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is ZQVVDYGZJNBUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-3-4-9(7-11(8)21-2)12(18)16-17-14(20)13(19)15-10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 291.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 8532471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).