(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide

C18H18N2O — CID 153403970

IUPAC(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide
SMILESC=N/C(=C\c1ccccc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-19-17(13-15-9-5-3-6-10-15)18(21)20(2)14-16-11-7-4-8-12-16/h3-13H,1,14H2,2H3/b17-13-
InChIKeyCVOZBPCHULYHPD-LGMDPLHJSA-N
MW278.36 g/mol
LogP3.39
Rot. Bonds5

About (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide

(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide (PubChem CID 153403970) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide
PubChem CID153403970
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide
SMILESC=N/C(=C\c1ccccc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-19-17(13-15-9-5-3-6-10-15)18(21)20(2)14-16-11-7-4-8-12-16/h3-13H,1,14H2,2H3/b17-13-
InChIKeyCVOZBPCHULYHPD-LGMDPLHJSA-N
XLogP3.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide (CID 153403970) is (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide is C=N/C(=C\c1ccccc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide?
The InChIKey is CVOZBPCHULYHPD-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19-17(13-15-9-5-3-6-10-15)18(21)20(2)14-16-11-7-4-8-12-16/h3-13H,1,14H2,2H3/b17-13-.
What are the key properties of (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide?
(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide is sourced from PubChem (CID 153403970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).