N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide

C19H28N2O3 — CID 2090870

IUPACN'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPRTVVPYZXNWMGN-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds3

About N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide

N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide (PubChem CID 2090870) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
PubChem CID2090870
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPRTVVPYZXNWMGN-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
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'-(cyclohex-3-ene-1-carbonyl)-4-methoxybenzohydrazide
CID 2843839
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate
CID 173265506
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
(1S,6R)-6-[[(4-methoxybenzoyl)amino]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 842393
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
CID 3093891
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide (CID 2090870) is N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide?
The InChIKey is PRTVVPYZXNWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)15-9-5-13(6-10-15)17(22)20-21-18(23)14-7-11-16(24-4)12-8-14/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide?
N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide has a molecular weight of 332.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylcyclohexanecarbonyl)-4-methoxybenzohydrazide is sourced from PubChem (CID 2090870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).