2-methyl-N'-(3-phenylpropanoyl)benzohydrazide

C17H18N2O2 — CID 795257

IUPAC2-methyl-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyBFHWGTMLVZHIPH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide

2-methyl-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 795257) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID795257
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methyl-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyBFHWGTMLVZHIPH-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.39
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

Benzoylhydrazine
CID 11955
Benmoxin
CID 71671
2-Methylbenzamide
CID 10704
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
2,3-Dihydro-1,4-phthalazinedione
CID 219401
Benzoic acid, 2-benzoylhydrazide
CID 13085
p-Toluohydrazide
CID 77174
m-Toluohydrazide
CID 83082
2'-(4-Methylbenzoyl)-2-naphthohydrazide
CID 96762
o-Toluohydrazide
CID 82110
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
CID 123513
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide (CID 795257) is 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide is Cc1ccccc1C(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is BFHWGTMLVZHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-7-5-6-10-15(13)17(21)19-18-16(20)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide?
2-methyl-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 282.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).