N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C17H23N3O3 — CID 4925419

IUPACN-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3/c1-12-7-9-14(10-8-12)17(23)20-19-15(21)11-18-16(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyLCXWGIFBZVVBSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.45
Rot. Bonds4

About N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925419) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925419
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23N3O3/c1-12-7-9-14(10-8-12)17(23)20-19-15(21)11-18-16(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyLCXWGIFBZVVBSR-UHFFFAOYSA-N
XLogP1.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.45
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-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4778855
N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925440
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2437967
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925419) is N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is LCXWGIFBZVVBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-7-9-14(10-8-12)17(23)20-19-15(21)11-18-16(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).