4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide

C21H25N3O4 — CID 3380721

IUPAC4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H25N3O4/c1-5-6-20(25)22-16-9-7-15(8-10-16)21(26)24-23-14(2)18-12-11-17(27-3)13-19(18)28-4/h7-13H,5-6H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyRXPQQAHPXYVMNZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.60
Rot. Bonds8

About 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide

4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide (PubChem CID 3380721) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
PubChem CID3380721
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H25N3O4/c1-5-6-20(25)22-16-9-7-15(8-10-16)21(26)24-23-14(2)18-12-11-17(27-3)13-19(18)28-4/h7-13H,5-6H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyRXPQQAHPXYVMNZ-UHFFFAOYSA-N
XLogP3.60
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.60
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-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
2,4-dimethoxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871625
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3,5-dimethoxybenzamide
CID 135749482
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[[4-(4-ethylanilino)-4-oxobutan-2-ylidene]amino]-2,4-dimethoxybenzamide
CID 3399495
N-[1-(4-ethylphenyl)ethylideneamino]-2,4-dimethoxybenzamide
CID 4224310
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
CID 135824450
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide (CID 3380721) is 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide is CCCC(=O)Nc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is RXPQQAHPXYVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-6-20(25)22-16-9-7-15(8-10-16)21(26)24-23-14(2)18-12-11-17(27-3)13-19(18)28-4/h7-13H,5-6H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3380721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).