4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide

C24H30N2O4 — CID 7974208

IUPAC4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H30N2O4/c1-6-30-20-9-7-19(8-10-20)21(27)11-12-23(29)26(5)15-22(28)25-24-17(3)13-16(2)14-18(24)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,25,28)
InChIKeyQMLMPABBSKOTQK-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.07
Rot. Bonds9

About 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide

4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide (PubChem CID 7974208) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
PubChem CID7974208
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H30N2O4/c1-6-30-20-9-7-19(8-10-20)21(27)11-12-23(29)26(5)15-22(28)25-24-17(3)13-16(2)14-18(24)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,25,28)
InChIKeyQMLMPABBSKOTQK-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide with MolForge

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Related Compounds

4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 17497320
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9429343
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 40715057
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189810
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 9093129
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
4-bromo-N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-oxopropyl]benzamide
CID 26714808
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N',N'-dipropylpentanediamide
CID 56540496

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide (CID 7974208) is 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide is CCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The InChIKey is QMLMPABBSKOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-6-30-20-9-7-19(8-10-20)21(27)11-12-23(29)26(5)15-22(28)25-24-17(3)13-16(2)14-18(24)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,25,28).
What are the key properties of 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide has a molecular weight of 410.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide is sourced from PubChem (CID 7974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).