4-(dibenzylamino)butanehydrazide

C18H23N3O — CID 130159101

IUPAC4-(dibenzylamino)butanehydrazide
SMILESNNC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c19-20-18(22)12-7-13-21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,19H2,(H,20,22)
InChIKeyZGFQCYYOQRMTJY-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.46
Rot. Bonds8

About 4-(dibenzylamino)butanehydrazide

4-(dibenzylamino)butanehydrazide (PubChem CID 130159101) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(dibenzylamino)butanehydrazide.

Molecular Properties

Compound Name4-(dibenzylamino)butanehydrazide
PubChem CID130159101
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(dibenzylamino)butanehydrazide
SMILESNNC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c19-20-18(22)12-7-13-21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,19H2,(H,20,22)
InChIKeyZGFQCYYOQRMTJY-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
azane;3-(dibenzylamino)propanoic acid
CID 162310692
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
CID 119897269
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
(E)-18-(dibenzylamino)octadec-12-enoic acid
CID 18512777
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
CID 119135308

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)butanehydrazide?
The IUPAC name of 4-(dibenzylamino)butanehydrazide (CID 130159101) is 4-(dibenzylamino)butanehydrazide.
What is the SMILES notation for 4-(dibenzylamino)butanehydrazide?
The canonical SMILES for 4-(dibenzylamino)butanehydrazide is NNC(=O)CCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-(dibenzylamino)butanehydrazide?
The InChIKey is ZGFQCYYOQRMTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-20-18(22)12-7-13-21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15,19H2,(H,20,22).
What are the key properties of 4-(dibenzylamino)butanehydrazide?
4-(dibenzylamino)butanehydrazide has a molecular weight of 297.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)butanehydrazide is sourced from PubChem (CID 130159101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).