N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide

C13H20N2O4 — CID 116845027

IUPACN-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)N(C)N)cc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-15(14)12(16)6-5-9-7-10(17-2)13(19-4)11(8-9)18-3/h7-8H,5-6,14H2,1-4H3
InChIKeyZVBNMYPYLAOIKK-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.98
Rot. Bonds6

About N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide

N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide (PubChem CID 116845027) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
PubChem CID116845027
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)N(C)N)cc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-15(14)12(16)6-5-9-7-10(17-2)13(19-4)11(8-9)18-3/h7-8H,5-6,14H2,1-4H3
InChIKeyZVBNMYPYLAOIKK-UHFFFAOYSA-N
XLogP0.98
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide
CID 116844991
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 31795480
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55370350
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The IUPAC name of N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide (CID 116845027) is N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide is COc1cc(CCC(=O)N(C)N)cc(OC)c1OC.
What is the InChIKey of N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The InChIKey is ZVBNMYPYLAOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(14)12(16)6-5-9-7-10(17-2)13(19-4)11(8-9)18-3/h7-8H,5-6,14H2,1-4H3.
What are the key properties of N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide has a molecular weight of 268.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 116845027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).