N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide

C15H21N3O — CID 5077247

IUPACN'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC2=CCCCC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-7-9-13(10-8-12)16-11-15(19)18-17-14-5-3-2-4-6-14/h5,7-10,16-17H,2-4,6,11H2,1H3,(H,18,19)
InChIKeyFZPZVVKKQKFLTC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds5

About N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide

N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide (PubChem CID 5077247) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
PubChem CID5077247
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC2=CCCCC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-7-9-13(10-8-12)16-11-15(19)18-17-14-5-3-2-4-6-14/h5,7-10,16-17H,2-4,6,11H2,1H3,(H,18,19)
InChIKeyFZPZVVKKQKFLTC-UHFFFAOYSA-N
XLogP2.49
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
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

2-cyclopentyl-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18140158
2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
CID 4621880
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
1-[[2-(4-methylanilino)acetyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8617768
cyclobutyl 2-(4-methylanilino)acetate
CID 62217583
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide?
The IUPAC name of N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide (CID 5077247) is N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide.
What is the SMILES notation for N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide?
The canonical SMILES for N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide is Cc1ccc(NCC(=O)NNC2=CCCCC2)cc1.
What is the InChIKey of N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide?
The InChIKey is FZPZVVKKQKFLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-7-9-13(10-8-12)16-11-15(19)18-17-14-5-3-2-4-6-14/h5,7-10,16-17H,2-4,6,11H2,1H3,(H,18,19).
What are the key properties of N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide?
N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide has a molecular weight of 259.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide is sourced from PubChem (CID 5077247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).