(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

C18H18N2O3 — CID 92856946

IUPAC(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C\c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-22-16-10-9-15(17(12-16)23-2)13-19-20-18(21)11-8-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-8-,19-13+
InChIKeyNGMVLAGBNCVHMY-WQXXOLMXSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds6

About (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (PubChem CID 92856946) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
PubChem CID92856946
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C\c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18N2O3/c1-22-16-10-9-15(17(12-16)23-2)13-19-20-18(21)11-8-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-8-,19-13+
InChIKeyNGMVLAGBNCVHMY-WQXXOLMXSA-N
XLogP2.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126006946
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
CID 19166546
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280125
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (CID 92856946) is (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is COc1ccc(/C=N/NC(=O)/C=C\c2ccccc2)c(OC)c1.
What is the InChIKey of (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is NGMVLAGBNCVHMY-WQXXOLMXSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-10-9-15(17(12-16)23-2)13-19-20-18(21)11-8-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-8-,19-13+.
What are the key properties of (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 92856946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).