N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C19H22N2O3 — CID 2957568

IUPACN-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)17(21-18(22)14-7-5-4-6-8-14)19(23)20-15-9-11-16(24-3)12-10-15/h4-13,17H,1-3H3,(H,20,23)(H,21,22)
InChIKeyYSCUVMZQMPFKMA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2957568) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2957568
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)17(21-18(22)14-7-5-4-6-8-14)19(23)20-15-9-11-16(24-3)12-10-15/h4-13,17H,1-3H3,(H,20,23)(H,21,22)
InChIKeyYSCUVMZQMPFKMA-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2957568) is N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is YSCUVMZQMPFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)17(21-18(22)14-7-5-4-6-8-14)19(23)20-15-9-11-16(24-3)12-10-15/h4-13,17H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2957568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).