2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

C23H30N2O3 — CID 132657490

IUPAC2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-5-17-11-13-18(14-12-17)28-21(6-2)23(27)25-20-10-8-7-9-19(20)22(26)24-15-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFWFQRPVYACVYKT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.43
Rot. Bonds9

About 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 132657490) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID132657490
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-5-17-11-13-18(14-12-17)28-21(6-2)23(27)25-20-10-8-7-9-19(20)22(26)24-15-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyFWFQRPVYACVYKT-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
CID 132652180
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (CID 132657490) is 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is CCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is FWFQRPVYACVYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-17-11-13-18(14-12-17)28-21(6-2)23(27)25-20-10-8-7-9-19(20)22(26)24-15-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 132657490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).