N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide

C16H21N3O3 — CID 18140071

IUPACN'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-22-14-9-7-13(8-10-14)17-11-15(20)18-19-16(21)12-5-3-2-4-6-12/h2-3,7-10,12,17H,4-6,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyIRIQUSQRJRXVOY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.61
Rot. Bonds5

About N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide

N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide (PubChem CID 18140071) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
PubChem CID18140071
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-22-14-9-7-13(8-10-14)17-11-15(20)18-19-16(21)12-5-3-2-4-6-12/h2-3,7-10,12,17H,4-6,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyIRIQUSQRJRXVOY-UHFFFAOYSA-N
XLogP1.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclohex-3-ene-1-carbonyl)-4-methoxybenzohydrazide
CID 2843839
N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
CID 55430041
N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
CID 55497462
N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
CID 55629264
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
(1S)-N-[2-(4-ethoxyanilino)-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94811299
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
CID 94822861
N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide
CID 55350905

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide (CID 18140071) is N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide?
The InChIKey is IRIQUSQRJRXVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-14-9-7-13(8-10-14)17-11-15(20)18-19-16(21)12-5-3-2-4-6-12/h2-3,7-10,12,17H,4-6,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide has a molecular weight of 303.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 18140071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).