3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide

C20H23N3O4 — CID 1018787

IUPAC3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-5-19(24)21-16-8-6-14(7-9-16)13(2)22-23-20(25)15-10-17(26-3)12-18(11-15)27-4/h6-12H,5H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyGLJFXDWMKMRIHU-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.21
Rot. Bonds7

About 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide

3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide (PubChem CID 1018787) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
PubChem CID1018787
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-5-19(24)21-16-8-6-14(7-9-16)13(2)22-23-20(25)15-10-17(26-3)12-18(11-15)27-4/h6-12H,5H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyGLJFXDWMKMRIHU-UHFFFAOYSA-N
XLogP3.21
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.21
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'}

Analyze 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]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

N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 5342164
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3,5-dimethoxybenzamide
CID 135749482
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 841194
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide (CID 1018787) is 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide is CCC(=O)Nc1ccc(C(C)=NNC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The InChIKey is GLJFXDWMKMRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-19(24)21-16-8-6-14(7-9-16)13(2)22-23-20(25)15-10-17(26-3)12-18(11-15)27-4/h6-12H,5H2,1-4H3,(H,21,24)(H,23,25).
What are the key properties of 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 1018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).