4-[benzoyl(methyl)amino]pentan-2-yl benzoate

C20H23NO3 — CID 90020922

IUPAC4-[benzoyl(methyl)amino]pentan-2-yl benzoate
SMILESCC(CC(C)N(C)C(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(21(3)19(22)17-10-6-4-7-11-17)14-16(2)24-20(23)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChIKeyGNWGSBJQAXZWQZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.78
Rot. Bonds6

About 4-[benzoyl(methyl)amino]pentan-2-yl benzoate

4-[benzoyl(methyl)amino]pentan-2-yl benzoate (PubChem CID 90020922) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[benzoyl(methyl)amino]pentan-2-yl benzoate.

Molecular Properties

Compound Name4-[benzoyl(methyl)amino]pentan-2-yl benzoate
PubChem CID90020922
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[benzoyl(methyl)amino]pentan-2-yl benzoate
SMILESCC(CC(C)N(C)C(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(21(3)19(22)17-10-6-4-7-11-17)14-16(2)24-20(23)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChIKeyGNWGSBJQAXZWQZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzoyl(methyl)amino]pentan-2-yl benzoate?
The IUPAC name of 4-[benzoyl(methyl)amino]pentan-2-yl benzoate (CID 90020922) is 4-[benzoyl(methyl)amino]pentan-2-yl benzoate.
What is the SMILES notation for 4-[benzoyl(methyl)amino]pentan-2-yl benzoate?
The canonical SMILES for 4-[benzoyl(methyl)amino]pentan-2-yl benzoate is CC(CC(C)N(C)C(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of 4-[benzoyl(methyl)amino]pentan-2-yl benzoate?
The InChIKey is GNWGSBJQAXZWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(21(3)19(22)17-10-6-4-7-11-17)14-16(2)24-20(23)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3.
What are the key properties of 4-[benzoyl(methyl)amino]pentan-2-yl benzoate?
4-[benzoyl(methyl)amino]pentan-2-yl benzoate has a molecular weight of 325.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzoyl(methyl)amino]pentan-2-yl benzoate is sourced from PubChem (CID 90020922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).