N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide

C19H21N3O4 — CID 4981059

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H21N3O4/c1-4-17(23)21-15-10-8-13(9-11-15)19(24)22-20-12-14-6-5-7-16(25-2)18(14)26-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPCWUKIXUSLOSHZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.82
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide

N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 4981059) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID4981059
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H21N3O4/c1-4-17(23)21-15-10-8-13(9-11-15)19(24)22-20-12-14-6-5-7-16(25-2)18(14)26-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPCWUKIXUSLOSHZ-UHFFFAOYSA-N
XLogP2.82
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (CID 4981059) is N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is PCWUKIXUSLOSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-17(23)21-15-10-8-13(9-11-15)19(24)22-20-12-14-6-5-7-16(25-2)18(14)26-3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 4981059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).