N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide

C21H25N3O2 — CID 6371689

IUPACN-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H25N3O2/c1-3-18(15-17-7-5-4-6-8-17)23-24-21(26)14-13-20(25)22-19-11-9-16(2)10-12-19/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H,24,26)/b23-18-
InChIKeyYRBHIJOARNSKFJ-NKFKGCMQSA-N
MW351.45 g/mol
LogP3.84
Rot. Bonds8

About N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide

N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide (PubChem CID 6371689) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
PubChem CID6371689
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H25N3O2/c1-3-18(15-17-7-5-4-6-8-17)23-24-21(26)14-13-20(25)22-19-11-9-16(2)10-12-19/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H,24,26)/b23-18-
InChIKeyYRBHIJOARNSKFJ-NKFKGCMQSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.84
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

3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide (CID 6371689) is N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide is CC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide?
The InChIKey is YRBHIJOARNSKFJ-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-18(15-17-7-5-4-6-8-17)23-24-21(26)14-13-20(25)22-19-11-9-16(2)10-12-19/h4-12H,3,13-15H2,1-2H3,(H,22,25)(H,24,26)/b23-18-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide?
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide has a molecular weight of 351.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide is sourced from PubChem (CID 6371689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).