N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide

C19H23N3O — CID 5404499

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)18-12-10-17(11-13-18)15-20-21-19(23)14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,21,23)/b20-15-
InChIKeyQEWVODDZEBVZOR-HKWRFOASSA-N
MW309.41 g/mol
LogP3.23
Rot. Bonds7

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 5404499) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
PubChem CID5404499
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)18-12-10-17(11-13-18)15-20-21-19(23)14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,21,23)/b20-15-
InChIKeyQEWVODDZEBVZOR-HKWRFOASSA-N
XLogP3.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.23
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-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide
CID 126370340
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide (CID 5404499) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide is CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is QEWVODDZEBVZOR-HKWRFOASSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-22(4-2)18-12-10-17(11-13-18)15-20-21-19(23)14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,21,23)/b20-15-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 309.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5404499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).