N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide

C21H25N3O3 — CID 4980442

IUPACN-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-4-5-6-20(25)23-18-10-8-17(9-11-18)21(26)24-22-14-16-7-12-19(27-3)15(2)13-16/h7-14H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJJSTUCAIEQNWRC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.90
Rot. Bonds8

About N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide

N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide (PubChem CID 4980442) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
PubChem CID4980442
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-4-5-6-20(25)23-18-10-8-17(9-11-18)21(26)24-22-14-16-7-12-19(27-3)15(2)13-16/h7-14H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJJSTUCAIEQNWRC-UHFFFAOYSA-N
XLogP3.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.90
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 N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)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-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4981206
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6733357
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 135685561
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide (CID 4980442) is N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide?
The InChIKey is JJSTUCAIEQNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-5-6-20(25)23-18-10-8-17(9-11-18)21(26)24-22-14-16-7-12-19(27-3)15(2)13-16/h7-14H,4-6H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide?
N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 4980442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).