N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide

C23H23N3O — CID 5499697

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O/c1-26(2)21-15-13-18(14-16-21)17-24-25-23(27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,22H,1-2H3,(H,25,27)/b24-17-
InChIKeyYHTXNRWVUFOQED-ULJHMMPZSA-N
MW357.46 g/mol
LogP4.03
Rot. Bonds6

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide (PubChem CID 5499697) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
PubChem CID5499697
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O/c1-26(2)21-15-13-18(14-16-21)17-24-25-23(27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,22H,1-2H3,(H,25,27)/b24-17-
InChIKeyYHTXNRWVUFOQED-ULJHMMPZSA-N
XLogP4.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
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

N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462678
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197
2,2-diphenyl-N-[(Z)-propylideneamino]acetamide
CID 6119099
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-(2-bromophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]-2-methylpropanediamide
CID 3874134

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide (CID 5499697) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide is CN(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide?
The InChIKey is YHTXNRWVUFOQED-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H23N3O/c1-26(2)21-15-13-18(14-16-21)17-24-25-23(27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,22H,1-2H3,(H,25,27)/b24-17-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide has a molecular weight of 357.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 5499697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).