[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate

C22H26N2O4 — CID 7457283

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCCC(C)C)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)11-12-23-20(25)14-28-22(27)18-9-4-5-10-19(18)24-21(26)17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFXVFYGVDPCIBGV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.57
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate

[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 7457283) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID7457283
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCCC(C)C)c1
InChIInChI=1S/C22H26N2O4/c1-15(2)11-12-23-20(25)14-28-22(27)18-9-4-5-10-19(18)24-21(26)17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFXVFYGVDPCIBGV-UHFFFAOYSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42981396
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2415194
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2629654
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2606152
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 27354846
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate (CID 7457283) is [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate is Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCCC(C)C)c1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is FXVFYGVDPCIBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)11-12-23-20(25)14-28-22(27)18-9-4-5-10-19(18)24-21(26)17-8-6-7-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 7457283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).