N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide

C18H19N3O — CID 142372374

IUPACN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide
SMILESCc1ccc(N/C=C\C(N)=N\C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O/c1-14-7-9-16(10-8-14)20-12-11-17(19)21-18(22)13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3,(H2,19,21,22)/b12-11-
InChIKeyDUKVUMYNUJACTE-QXMHVHEDSA-N
MW293.37 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide

N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide (PubChem CID 142372374) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide
PubChem CID142372374
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide
SMILESCc1ccc(N/C=C\C(N)=N\C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O/c1-14-7-9-16(10-8-14)20-12-11-17(19)21-18(22)13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3,(H2,19,21,22)/b12-11-
InChIKeyDUKVUMYNUJACTE-QXMHVHEDSA-N
XLogP3.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]acetamide
CID 143987232
N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
CID 142372061
N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
CID 142372327
(E)-3-benzyl-4-(4-methylanilino)but-3-en-2-one
CID 6177150
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(Z)-3-anilinoprop-2-enamide
CID 143937122
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
CID 177371968
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
CID 100967758
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
3-(4-methylanilino)-1,4-diphenylbut-2-en-1-one
CID 4311429

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide?
The IUPAC name of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide (CID 142372374) is N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide is Cc1ccc(N/C=C\C(N)=N\C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide?
The InChIKey is DUKVUMYNUJACTE-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-7-9-16(10-8-14)20-12-11-17(19)21-18(22)13-15-5-3-2-4-6-15/h2-12,20H,13H2,1H3,(H2,19,21,22)/b12-11-.
What are the key properties of N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide?
N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide has a molecular weight of 293.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(4-methylanilino)prop-2-enylidene]-2-phenylacetamide is sourced from PubChem (CID 142372374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).