N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide

C14H17N3O3 — CID 51165990

IUPACN-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)C1CC1
InChIInChI=1S/C14H17N3O3/c1-9-4-2-3-5-11(9)14(20)15-8-12(18)16-17-13(19)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeySFWGOZLSNZIKBY-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.28
Rot. Bonds4

About N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide

N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 51165990) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
PubChem CID51165990
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)C1CC1
InChIInChI=1S/C14H17N3O3/c1-9-4-2-3-5-11(9)14(20)15-8-12(18)16-17-13(19)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeySFWGOZLSNZIKBY-UHFFFAOYSA-N
XLogP0.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N'-[2-(2-methylphenyl)acetyl]cyclopropanecarbohydrazide
CID 34261074
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 82121687
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide (CID 51165990) is N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)NNC(=O)C1CC1.
What is the InChIKey of N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is SFWGOZLSNZIKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-4-2-3-5-11(9)14(20)15-8-12(18)16-17-13(19)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 275.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 51165990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).