4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide

C21H26N2O3 — CID 9314100

IUPAC4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-12-26-18-10-8-17(9-11-18)21(25)22-14-20(24)23-19-13-15(2)6-7-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZISYSBIFJDKCFA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds8

About 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide

4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 9314100) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID9314100
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-12-26-18-10-8-17(9-11-18)21(25)22-14-20(24)23-19-13-15(2)6-7-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZISYSBIFJDKCFA-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
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

N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 46463640
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-butoxy-N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 44912664

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide (CID 9314100) is 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is ZISYSBIFJDKCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-12-26-18-10-8-17(9-11-18)21(25)22-14-20(24)23-19-13-15(2)6-7-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide?
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 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-(2,5-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9314100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).