N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide

C21H25N3O2 — CID 6392140

IUPACN-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide
SMILESCCC/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-9-19(18-12-7-4-8-13-18)23-24-21(26)15-14-20(25)22-16-17-10-5-3-6-11-17/h3-8,10-13H,2,9,14-16H2,1H3,(H,22,25)(H,24,26)/b23-19+
InChIKeyUYGLEAURDVIKFG-FCDQGJHFSA-N
MW351.45 g/mol
LogP3.40
Rot. Bonds9

About N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide

N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide (PubChem CID 6392140) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide
PubChem CID6392140
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide
SMILESCCC/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-9-19(18-12-7-4-8-13-18)23-24-21(26)15-14-20(25)22-16-17-10-5-3-6-11-17/h3-8,10-13H,2,9,14-16H2,1H3,(H,22,25)(H,24,26)/b23-19+
InChIKeyUYGLEAURDVIKFG-FCDQGJHFSA-N
XLogP3.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
CID 3113987
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The IUPAC name of N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide (CID 6392140) is N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide.
What is the SMILES notation for N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The canonical SMILES for N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide is CCC/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The InChIKey is UYGLEAURDVIKFG-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-9-19(18-12-7-4-8-13-18)23-24-21(26)15-14-20(25)22-16-17-10-5-3-6-11-17/h3-8,10-13H,2,9,14-16H2,1H3,(H,22,25)(H,24,26)/b23-19+.
What are the key properties of N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide?
N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide has a molecular weight of 351.45 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(E)-1-phenylbutylideneamino]butanediamide is sourced from PubChem (CID 6392140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).