N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide

C22H26N4O2 — CID 6379679

IUPACN,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
SMILESC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)N/N=C(/C)Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-17(15-19-9-5-3-6-10-19)23-25-21(27)13-14-22(28)26-24-18(2)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28)/b23-17-,24-18-
InChIKeyGITXHGPTYJSHRZ-BOYKQRMESA-N
MW378.48 g/mol
LogP3.24
Rot. Bonds9

About N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide

N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide (PubChem CID 6379679) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
PubChem CID6379679
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
SMILESC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)N/N=C(/C)Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-17(15-19-9-5-3-6-10-19)23-25-21(27)13-14-22(28)26-24-18(2)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28)/b23-17-,24-18-
InChIKeyGITXHGPTYJSHRZ-BOYKQRMESA-N
XLogP3.24
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
CID 3412755
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685205
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide (CID 6379679) is N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide is C/C(Cc1ccccc1)=N/NC(=O)CCC(=O)N/N=C(/C)Cc1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide?
The InChIKey is GITXHGPTYJSHRZ-BOYKQRMESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17(15-19-9-5-3-6-10-19)23-25-21(27)13-14-22(28)26-24-18(2)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3,(H,25,27)(H,26,28)/b23-17-,24-18-.
What are the key properties of N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide?
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide has a molecular weight of 378.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide is sourced from PubChem (CID 6379679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).