4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

C20H24N2O3 — CID 9342156

IUPAC4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-3-4-13-25-17-11-9-16(10-12-17)20(24)21-14-19(23)22-18-8-6-5-7-15(18)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHQJAGARZEBQACX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.54
Rot. Bonds8

About 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9342156) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
PubChem CID9342156
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-3-4-13-25-17-11-9-16(10-12-17)20(24)21-14-19(23)22-18-8-6-5-7-15(18)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHQJAGARZEBQACX-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
(E)-1-(4-butoxyphenyl)-3-(2-methylanilino)prop-2-en-1-one
CID 51045660
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (CID 9342156) is 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is HQJAGARZEBQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-4-13-25-17-11-9-16(10-12-17)20(24)21-14-19(23)22-18-8-6-5-7-15(18)2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9342156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).