4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide

C20H22N4O2 — CID 75306323

IUPAC4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
SMILESC=CCON=Cc1cccc(C=NNC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-4-12-26-22-15-17-7-5-6-16(13-17)14-21-23-20(25)18-8-10-19(11-9-18)24(2)3/h4-11,13-15H,1,12H2,2-3H3,(H,23,25)
InChIKeyJETMGLJXPDSKKJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds8

About 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide

4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide (PubChem CID 75306323) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
PubChem CID75306323
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
SMILESC=CCON=Cc1cccc(C=NNC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-4-12-26-22-15-17-7-5-6-16(13-17)14-21-23-20(25)18-8-10-19(11-9-18)24(2)3/h4-11,13-15H,1,12H2,2-3H3,(H,23,25)
InChIKeyJETMGLJXPDSKKJ-UHFFFAOYSA-N
XLogP3.05
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
4-(dimethylamino)-N-[[3-[3-(ethylamino)-3-oxoprop-1-enyl]phenyl]methylideneamino]benzamide
CID 75306267
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[[3-(dimethylamino)phenyl]methylideneamino]-4-[[4-[2-[[3-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68905297

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide (CID 75306323) is 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide is C=CCON=Cc1cccc(C=NNC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide?
The InChIKey is JETMGLJXPDSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-12-26-22-15-17-7-5-6-16(13-17)14-21-23-20(25)18-8-10-19(11-9-18)24(2)3/h4-11,13-15H,1,12H2,2-3H3,(H,23,25).
What are the key properties of 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide?
4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 75306323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).