4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide

C13H20N2O3 — CID 116846469

IUPAC4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-15-13(16)6-4-5-10-7-8-11(17-2)12(9-10)18-3/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyIFVBOGGOMUYJNG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.28
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide

4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide (PubChem CID 116846469) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
PubChem CID116846469
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-15-13(16)6-4-5-10-7-8-11(17-2)12(9-10)18-3/h7-9,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyIFVBOGGOMUYJNG-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
CID 11001393
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
5-(2-methoxy-5-methylphenyl)-N'-methylpentanehydrazide
CID 116846603
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide (CID 116846469) is 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide is CNNC(=O)CCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide?
The InChIKey is IFVBOGGOMUYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-15-13(16)6-4-5-10-7-8-11(17-2)12(9-10)18-3/h7-9,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide?
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide is sourced from PubChem (CID 116846469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).