N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide

C13H20N2O4 — CID 116844991

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

About N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide

N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide (PubChem CID 116844991) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide
PubChem CID116844991
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(OC)c(CCC(=O)N(C)N)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-15(14)13(16)6-5-10-11(18-3)7-9(17-2)8-12(10)19-4/h7-8H,5-6,14H2,1-4H3
InChIKeyJMAFBVAICWLKGA-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'}

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Related Compounds

methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
N-ethyl-N-methyl-2-(2,4,6-trimethoxyphenyl)ethanamine
CID 115259613
4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
3-(4-formyloxy-2,6-dimethoxyphenyl)propanoic acid
CID 175274116
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide?
The IUPAC name of N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide (CID 116844991) is N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide is COc1cc(OC)c(CCC(=O)N(C)N)c(OC)c1.
What is the InChIKey of N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide?
The InChIKey is JMAFBVAICWLKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(14)13(16)6-5-10-11(18-3)7-9(17-2)8-12(10)19-4/h7-8H,5-6,14H2,1-4H3.
What are the key properties of N-methyl-3-(2,4,6-trimethoxyphenyl)propanehydrazide?
N-methyl-3-(2,4,6-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-(2,4,6-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 116844991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).