4-(3-methoxy-N-methylanilino)butanehydrazide

C12H19N3O2 — CID 63583591

IUPAC4-(3-methoxy-N-methylanilino)butanehydrazide
SMILESCOc1cccc(N(C)CCCC(=O)NN)c1
InChIInChI=1S/C12H19N3O2/c1-15(8-4-7-12(16)14-13)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyVBJVTZDBCPZTNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds6

About 4-(3-methoxy-N-methylanilino)butanehydrazide

4-(3-methoxy-N-methylanilino)butanehydrazide (PubChem CID 63583591) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylanilino)butanehydrazide.

Molecular Properties

Compound Name4-(3-methoxy-N-methylanilino)butanehydrazide
PubChem CID63583591
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-methoxy-N-methylanilino)butanehydrazide
SMILESCOc1cccc(N(C)CCCC(=O)NN)c1
InChIInChI=1S/C12H19N3O2/c1-15(8-4-7-12(16)14-13)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyVBJVTZDBCPZTNB-UHFFFAOYSA-N
XLogP0.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
methyl 4-(3-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63055038
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
CID 62619389
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylanilino)butanehydrazide?
The IUPAC name of 4-(3-methoxy-N-methylanilino)butanehydrazide (CID 63583591) is 4-(3-methoxy-N-methylanilino)butanehydrazide.
What is the SMILES notation for 4-(3-methoxy-N-methylanilino)butanehydrazide?
The canonical SMILES for 4-(3-methoxy-N-methylanilino)butanehydrazide is COc1cccc(N(C)CCCC(=O)NN)c1.
What is the InChIKey of 4-(3-methoxy-N-methylanilino)butanehydrazide?
The InChIKey is VBJVTZDBCPZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(8-4-7-12(16)14-13)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-(3-methoxy-N-methylanilino)butanehydrazide?
4-(3-methoxy-N-methylanilino)butanehydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylanilino)butanehydrazide is sourced from PubChem (CID 63583591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).