2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide

C29H25N3O — CID 58607588

IUPAC2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide
SMILESC=C(C)C(=O)N(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H25N3O/c1-23(2)29(33)32(28-16-10-5-11-17-28)30-22-24-18-20-27(21-19-24)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-22H,1H2,2H3/b30-22+
InChIKeyRDNXBTFISIKAJT-JBASAIQMSA-N
MW431.54 g/mol
LogP7.10
Rot. Bonds7

About 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide

2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide (PubChem CID 58607588) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide
PubChem CID58607588
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide
SMILESC=C(C)C(=O)N(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H25N3O/c1-23(2)29(33)32(28-16-10-5-11-17-28)30-22-24-18-20-27(21-19-24)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-22H,1H2,2H3/b30-22+
InChIKeyRDNXBTFISIKAJT-JBASAIQMSA-N
XLogP7.10
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065635
2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid
CID 154114481
1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
CID 44557812
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
CID 56698447
[10-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]anthracen-9-yl] prop-2-enoate
CID 59302149
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide?
The IUPAC name of 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide (CID 58607588) is 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide?
The canonical SMILES for 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide is C=C(C)C(=O)N(/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide?
The InChIKey is RDNXBTFISIKAJT-JBASAIQMSA-N. The full InChI is InChI=1S/C29H25N3O/c1-23(2)29(33)32(28-16-10-5-11-17-28)30-22-24-18-20-27(21-19-24)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-22H,1H2,2H3/b30-22+.
What are the key properties of 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide?
2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide has a molecular weight of 431.54 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide is sourced from PubChem (CID 58607588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).