N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide

C17H24N2O3 — CID 60556236

IUPACN'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
SMILESCC(C)c1ccc(CCC(=O)NNC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-8-5-13(6-9-14)7-10-16(20)18-19-17(21)15-4-3-11-22-15/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUAGSUOHWJFVOGC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds5

About N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide

N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide (PubChem CID 60556236) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
PubChem CID60556236
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
SMILESCC(C)c1ccc(CCC(=O)NNC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-8-5-13(6-9-14)7-10-16(20)18-19-17(21)15-4-3-11-22-15/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUAGSUOHWJFVOGC-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
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'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 78810784
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
CID 47189286
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide (CID 60556236) is N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide is CC(C)c1ccc(CCC(=O)NNC(=O)C2CCCO2)cc1.
What is the InChIKey of N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide?
The InChIKey is UAGSUOHWJFVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)14-8-5-13(6-9-14)7-10-16(20)18-19-17(21)15-4-3-11-22-15/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide?
N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide has a molecular weight of 304.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 60556236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).