N-(cinnamylideneamino)-3,4-dimethoxybenzamide

C18H18N2O3 — CID 6824789

IUPACN-(cinnamylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=CC=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-11-10-15(13-17(16)23-2)18(21)20-19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21)
InChIKeyPOSOTBPYTGBLMJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.13
Rot. Bonds6

About N-(cinnamylideneamino)-3,4-dimethoxybenzamide

N-(cinnamylideneamino)-3,4-dimethoxybenzamide (PubChem CID 6824789) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(cinnamylideneamino)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-3,4-dimethoxybenzamide
PubChem CID6824789
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(cinnamylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=CC=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-11-10-15(13-17(16)23-2)18(21)20-19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21)
InChIKeyPOSOTBPYTGBLMJ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cinnamylideneamino)-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 126002279
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
N-(cinnamylideneamino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6803299
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
[4-bromo-2-[(Z)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6073791
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
CID 6899373

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-3,4-dimethoxybenzamide?
The IUPAC name of N-(cinnamylideneamino)-3,4-dimethoxybenzamide (CID 6824789) is N-(cinnamylideneamino)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(cinnamylideneamino)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(cinnamylideneamino)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=CC=Cc2ccccc2)cc1OC.
What is the InChIKey of N-(cinnamylideneamino)-3,4-dimethoxybenzamide?
The InChIKey is POSOTBPYTGBLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-11-10-15(13-17(16)23-2)18(21)20-19-12-6-9-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,21).
What are the key properties of N-(cinnamylideneamino)-3,4-dimethoxybenzamide?
N-(cinnamylideneamino)-3,4-dimethoxybenzamide has a molecular weight of 310.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-3,4-dimethoxybenzamide is sourced from PubChem (CID 6824789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).