3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide

C21H19N3O3 — CID 46496348

IUPAC3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)o3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-4-3-5-17(12-14)20(25)23-18-9-7-16(8-10-18)21(26)24-22-13-19-11-6-15(2)27-19/h3-13H,1-2H3,(H,23,25)(H,24,26)/b22-13+
InChIKeyCVNWPXFKXQBWLI-LPYMAVHISA-N
MW361.40 g/mol
LogP3.91
Rot. Bonds5

About 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide

3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 46496348) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID46496348
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)o3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-4-3-5-17(12-14)20(25)23-18-9-7-16(8-10-18)21(26)24-22-13-19-11-6-15(2)27-19/h3-13H,1-2H3,(H,23,25)(H,24,26)/b22-13+
InChIKeyCVNWPXFKXQBWLI-LPYMAVHISA-N
XLogP3.91
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
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 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide 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

4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (3-methoxy-benzylidene)-hydrazide
CID 6898294
2-Methyl-N-(3-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496243
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (4-methoxy-benzylidene)-hydrazide
CID 5331402
Benzoic acid, p-(p-chlorobenzamido)-, 2-furfurylidenehydrazide
CID 9570945
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 5456365
Benzoic acid 2-{[4-(2,2-dimethyl-propionylamino)-benzoyl]-hydrazonomethyl}-phenyl ester
CID 6871624
[2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 6871636
N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 9564917
4-fluoro-N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)benzamide
CID 9564922
N'-{[5-(1-piperidinyl)-2-furyl]methylene}benzohydrazide
CID 9595499
N-(4-{[2-({5-nitro-2-furyl}methylene)hydrazino]carbonyl}phenyl)butanamide
CID 9635063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide (CID 46496348) is 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)o3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is CVNWPXFKXQBWLI-LPYMAVHISA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-4-3-5-17(12-14)20(25)23-18-9-7-16(8-10-18)21(26)24-22-13-19-11-6-15(2)27-19/h3-13H,1-2H3,(H,23,25)(H,24,26)/b22-13+.
What are the key properties of 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46496348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).