N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide

C25H28N2O4 — CID 52694582

IUPACN'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide
SMILESCOc1ccc(CCC(=O)NN(Cc2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C25H28N2O4/c1-29-22-16-14-20(24(30-2)25(22)31-3)15-17-23(28)26-27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16H,15,17-18H2,1-3H3,(H,26,28)
InChIKeyMTRFVVLURCJTLY-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.38
Rot. Bonds10

About N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide

N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide (PubChem CID 52694582) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide
PubChem CID52694582
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide
SMILESCOc1ccc(CCC(=O)NN(Cc2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C25H28N2O4/c1-29-22-16-14-20(24(30-2)25(22)31-3)15-17-23(28)26-27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16H,15,17-18H2,1-3H3,(H,26,28)
InChIKeyMTRFVVLURCJTLY-UHFFFAOYSA-N
XLogP4.38
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
2-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 783447
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide?
The IUPAC name of N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide (CID 52694582) is N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide is COc1ccc(CCC(=O)NN(Cc2ccccc2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide?
The InChIKey is MTRFVVLURCJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-22-16-14-20(24(30-2)25(22)31-3)15-17-23(28)26-27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16H,15,17-18H2,1-3H3,(H,26,28).
What are the key properties of N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide?
N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide has a molecular weight of 420.51 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-3-(2,3,4-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 52694582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).