N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide

C16H24N2O2 — CID 37012024

IUPACN'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)9-16(20)18-17-15(19)8-7-14-6-5-12(3)10-13(14)4/h5-6,10-11H,7-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyQXBYGCMPHCCFDF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds5

About N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide

N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide (PubChem CID 37012024) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
PubChem CID37012024
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)9-16(20)18-17-15(19)8-7-14-6-5-12(3)10-13(14)4/h5-6,10-11H,7-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyQXBYGCMPHCCFDF-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
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

3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645511
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide?
The IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide (CID 37012024) is N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide.
What is the SMILES notation for N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide?
The canonical SMILES for N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide is Cc1ccc(CCC(=O)NNC(=O)CC(C)C)c(C)c1.
What is the InChIKey of N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide?
The InChIKey is QXBYGCMPHCCFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)9-16(20)18-17-15(19)8-7-14-6-5-12(3)10-13(14)4/h5-6,10-11H,7-9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide?
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide is sourced from PubChem (CID 37012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).