N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide

C20H22N2O2 — CID 3745673

IUPACN'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(2)18(23)21-22-19(24)17-13-20(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDMWUHWSSZSUNAW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.80
Rot. Bonds4

About N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide

N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide (PubChem CID 3745673) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide
PubChem CID3745673
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-14(2)18(23)21-22-19(24)17-13-20(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDMWUHWSSZSUNAW-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.80
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

2,2-Diphenylacetohydrazide
CID 226139
N'-(2-phenylacetyl)octanehydrazide
CID 2166777
2-Phenylcyclopropanecarbohydrazide
CID 2826792
3-(4-Methylphenyl)-1-adamantanecarbohydrazide
CID 2843886
Hydrocinnamic acid, beta-phenyl-, hydrazide
CID 64908
3-Phenylpropanehydrazide
CID 249348
Tranylcypromine hydrazide, cis-
CID 778510
trans-2-Phenylcyclopropanecarboxylic hydrazide
CID 778513
4-tert-butyl-N'-(phenylacetyl)benzohydrazide
CID 795873
4-tert-butyl-N'-(cyclohexylcarbonyl)benzohydrazide
CID 823623
trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
CID 7124308
2-methyl-N'-(1-methyl-3-phenyl-2-propenylidene)-2-phenylcyclopropanecarbohydrazide
CID 9665599

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide (CID 3745673) is N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide is CC(C)C(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide?
The InChIKey is DMWUHWSSZSUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)18(23)21-22-19(24)17-13-20(17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide?
N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide has a molecular weight of 322.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 3745673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).