3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide

C19H22N2O3 — CID 112999065

IUPAC3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-17-9-7-16(8-10-17)21-18(22)12-20-19(23)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLPYAJTUKQSIRKO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds6

About 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide

3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide (PubChem CID 112999065) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
PubChem CID112999065
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-17-9-7-16(8-10-17)21-18(22)12-20-19(23)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLPYAJTUKQSIRKO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
CID 110705497
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide (CID 112999065) is 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide?
The InChIKey is LPYAJTUKQSIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)24-17-9-7-16(8-10-17)21-18(22)12-20-19(23)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide?
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide is sourced from PubChem (CID 112999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).