2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide

C24H22N2O4 — CID 9446851

IUPAC2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
SMILESCOc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-29-20-14-13-17(22(16-20)30-2)15-21(23(27)25-18-9-5-3-6-10-18)24(28)26-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCFFZYOFSCBFRN-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.36
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide

2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide (PubChem CID 9446851) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
PubChem CID9446851
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
SMILESCOc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-29-20-14-13-17(22(16-20)30-2)15-21(23(27)25-18-9-5-3-6-10-18)24(28)26-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCFFZYOFSCBFRN-UHFFFAOYSA-N
XLogP4.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 2436196
2-[(2-chloro-3-pyridinyl)methylidene]-N'-(3-methoxyphenyl)-N-phenylpropanediamide
CID 91969864
N-[(Z)-3-[4-(2-anilino-2-oxoethyl)sulfanylanilino]-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 21385666
N'-(2-chloro-4-methoxyphenyl)-2-[(2-chloro-3-pyridinyl)methylidene]-N-phenylpropanediamide
CID 91969910
N-[(Z)-1-(2,4-dimethoxyphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 22787191
N-[(E)-1-(2,4-dimethoxyphenyl)-3-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19300420
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
3-[[(Z)-2-benzamido-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 19057436
2-cyano-3-[4-(diethylamino)-2-methoxyphenyl]-N-phenylprop-2-enamide
CID 2874764
(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 9448911

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide (CID 9446851) is 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide is COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide?
The InChIKey is WCFFZYOFSCBFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-20-14-13-17(22(16-20)30-2)15-21(23(27)25-18-9-5-3-6-10-18)24(28)26-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide?
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide has a molecular weight of 402.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide is sourced from PubChem (CID 9446851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).