2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide

C22H29N3O2 — CID 42912128

IUPAC2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-14-7-9-19(10-8-14)23-20(26)13-25(6)18(5)22(27)24-21-16(3)11-15(2)12-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyXMLYTXAPOUCLNF-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.82
Rot. Bonds6

About 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 42912128) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID42912128
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-14-7-9-19(10-8-14)23-20(26)13-25(6)18(5)22(27)24-21-16(3)11-15(2)12-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,26)(H,24,27)
InChIKeyXMLYTXAPOUCLNF-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide (CID 42912128) is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide is Cc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is XMLYTXAPOUCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-7-9-19(10-8-14)23-20(26)13-25(6)18(5)22(27)24-21-16(3)11-15(2)12-17(21)4/h7-12,18H,13H2,1-6H3,(H,23,26)(H,24,27).
What are the key properties of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 42912128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).