3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide

C19H26N6O2 — CID 69032364

IUPAC3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide
SMILESNNC(=O)CCNc1ccccc1Cc1ccccc1NCCC(=O)NN
InChIInChI=1S/C19H26N6O2/c20-24-18(26)9-11-22-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)23-12-10-19(27)25-21/h1-8,22-23H,9-13,20-21H2,(H,24,26)(H,25,27)
InChIKeyDKWQOATYPAXQKK-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.86
Rot. Bonds10

About 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide

3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide (PubChem CID 69032364) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide.

Molecular Properties

Compound Name3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide
PubChem CID69032364
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide
SMILESNNC(=O)CCNc1ccccc1Cc1ccccc1NCCC(=O)NN
InChIInChI=1S/C19H26N6O2/c20-24-18(26)9-11-22-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)23-12-10-19(27)25-21/h1-8,22-23H,9-13,20-21H2,(H,24,26)(H,25,27)
InChIKeyDKWQOATYPAXQKK-UHFFFAOYSA-N
XLogP0.86
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 50.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
2-[2-(propylamino)phenyl]acetamide
CID 43738591
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
3-(2-ethylanilino)-N,N-dimethylpropanamide
CID 60961204
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
N-methyl-4-(2-propylanilino)butanamide
CID 63891193
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide?
The IUPAC name of 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide (CID 69032364) is 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide.
What is the SMILES notation for 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide?
The canonical SMILES for 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide is NNC(=O)CCNc1ccccc1Cc1ccccc1NCCC(=O)NN.
What is the InChIKey of 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide?
The InChIKey is DKWQOATYPAXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c20-24-18(26)9-11-22-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)23-12-10-19(27)25-21/h1-8,22-23H,9-13,20-21H2,(H,24,26)(H,25,27).
What are the key properties of 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide?
3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide has a molecular weight of 370.46 g/mol, XLogP of 0.86, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-[(3-hydrazinyl-3-oxopropyl)amino]phenyl]methyl]anilino]propanehydrazide is sourced from PubChem (CID 69032364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).