4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide

C19H22N2O3 — CID 46755792

IUPAC4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)16-6-4-5-7-17(16)21-18(22)12-20-19(23)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNSBRWPNINVVLOM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.19
Rot. Bonds6

About 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide

4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide (PubChem CID 46755792) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
PubChem CID46755792
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-13(2)16-6-4-5-7-17(16)21-18(22)12-20-19(23)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNSBRWPNINVVLOM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049815
N-[2-[1-[2-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-4-methoxybenzamide
CID 55932572
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108951318
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide (CID 46755792) is 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide is COc1ccc(C(=O)NCC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is NSBRWPNINVVLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)16-6-4-5-7-17(16)21-18(22)12-20-19(23)14-8-10-15(24-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide?
4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 46755792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).