5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide

C17H26N2O — CID 175475904

IUPAC5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
SMILESCC1CCC(C(C)C)C(C(=O)NNc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)11-16(15)17(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15-16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyPQHSEUYECIQUDQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.84
Rot. Bonds4

About 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide

5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide (PubChem CID 175475904) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
PubChem CID175475904
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
SMILESCC1CCC(C(C)C)C(C(=O)NNc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)11-16(15)17(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15-16,18H,9-11H2,1-3H3,(H,19,20)
InChIKeyPQHSEUYECIQUDQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
methyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 69229253
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
trans-(1R,2S)-5-methyl-N-[(3-phenyloxetan-3-yl)methyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 164537895
N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide?
The IUPAC name of 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide (CID 175475904) is 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide?
The canonical SMILES for 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide is CC1CCC(C(C)C)C(C(=O)NNc2ccccc2)C1.
What is the InChIKey of 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide?
The InChIKey is PQHSEUYECIQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)15-10-9-13(3)11-16(15)17(20)19-18-14-7-5-4-6-8-14/h4-8,12-13,15-16,18H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide?
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide has a molecular weight of 274.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 175475904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).