N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide

C14H18N2O2 — CID 51276836

IUPACN'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
SMILESCc1cccc(CCC(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-11(9-10)5-8-13(17)15-16-14(18)12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyHUWRIJJDOYCXAU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.49
Rot. Bonds4

About N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide

N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide (PubChem CID 51276836) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
PubChem CID51276836
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
SMILESCc1cccc(CCC(=O)NNC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-11(9-10)5-8-13(17)15-16-14(18)12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyHUWRIJJDOYCXAU-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.49
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

N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
N'-[3-(3,4-dimethoxyphenyl)propanoyl]cyclopropanecarbohydrazide
CID 26798763
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide (CID 51276836) is N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide is Cc1cccc(CCC(=O)NNC(=O)C2CC2)c1.
What is the InChIKey of N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide?
The InChIKey is HUWRIJJDOYCXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-2-4-11(9-10)5-8-13(17)15-16-14(18)12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide?
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 51276836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).