N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide

C13H20N2O — CID 116845038

IUPACN-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
SMILESCc1ccc(CCC(=O)N(C)N)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-13(16)15(4)14/h5-6H,7-8,14H2,1-4H3
InChIKeyKZESMIXANDNDKJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide

N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide (PubChem CID 116845038) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide.

Molecular Properties

Compound NameN-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
PubChem CID116845038
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
SMILESCc1ccc(CCC(=O)N(C)N)c(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-13(16)15(4)14/h5-6H,7-8,14H2,1-4H3
InChIKeyKZESMIXANDNDKJ-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
N-methyl-2-oxo-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115176081
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-methyl-2-(methylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115152139
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163716
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569
N'-methyl-N'-[2-(2,3,4-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195540
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide?
The IUPAC name of N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide (CID 116845038) is N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide.
What is the SMILES notation for N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide?
The canonical SMILES for N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide is Cc1ccc(CCC(=O)N(C)N)c(C)c1C.
What is the InChIKey of N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide?
The InChIKey is KZESMIXANDNDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-12(11(3)10(9)2)7-8-13(16)15(4)14/h5-6H,7-8,14H2,1-4H3.
What are the key properties of N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide?
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide is sourced from PubChem (CID 116845038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).