4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide

C19H23N3O3 — CID 3489457

IUPAC4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(C=NNC(=O)CCCNc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-5-15(6-10-17)14-21-22-19(23)4-3-13-20-16-7-11-18(25-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,23)
InChIKeySFSIKTIMOQEONY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.05
Rot. Bonds9

About 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide

4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide (PubChem CID 3489457) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
PubChem CID3489457
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(C=NNC(=O)CCCNc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-5-15(6-10-17)14-21-22-19(23)4-3-13-20-16-7-11-18(25-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,23)
InChIKeySFSIKTIMOQEONY-UHFFFAOYSA-N
XLogP3.05
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N-[(4-methoxyphenyl)methylideneamino]-5-(4-methylphenyl)-5-oxopentanamide
CID 171817090
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide (CID 3489457) is 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide is COc1ccc(C=NNC(=O)CCCNc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide?
The InChIKey is SFSIKTIMOQEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-9-5-15(6-10-17)14-21-22-19(23)4-3-13-20-16-7-11-18(25-2)12-8-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide?
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide has a molecular weight of 341.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 3489457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).