3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide

C19H22N2O — CID 6074409

IUPAC3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
SMILESCC/C(Cc1ccccc1)=N\NC(=O)CCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-18(15-17-11-7-4-8-12-17)20-21-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)/b20-18+
InChIKeyKBTLIDBJLAWITA-CZIZESTLSA-N
MW294.40 g/mol
LogP3.74
Rot. Bonds7

About 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide

3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide (PubChem CID 6074409) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
PubChem CID6074409
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
SMILESCC/C(Cc1ccccc1)=N\NC(=O)CCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-2-18(15-17-11-7-4-8-12-17)20-21-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)/b20-18+
InChIKeyKBTLIDBJLAWITA-CZIZESTLSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6529279
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
(6-phenylhexan-3-ylideneamino)urea
CID 2750652
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
2,5-dimethyl-N-[(Z)-1-phenylbutan-2-ylideneamino]furan-3-carboxamide
CID 6371445

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide?
The IUPAC name of 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide (CID 6074409) is 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide.
What is the SMILES notation for 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide?
The canonical SMILES for 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide is CC/C(Cc1ccccc1)=N\NC(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide?
The InChIKey is KBTLIDBJLAWITA-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-18(15-17-11-7-4-8-12-17)20-21-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)/b20-18+.
What are the key properties of 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide?
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide is sourced from PubChem (CID 6074409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).