2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C21H27N3O2 — CID 120667422

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-13-6-8-17(9-7-13)19(22)21(26)24(5)12-18(25)23-20-15(3)10-14(2)11-16(20)4/h6-11,19H,12,22H2,1-5H3,(H,23,25)
InChIKeyPTNTZKJDAAGEFH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.02
Rot. Bonds5

About 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 120667422) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID120667422
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-13-6-8-17(9-7-13)19(22)21(26)24(5)12-18(25)23-20-15(3)10-14(2)11-16(20)4/h6-11,19H,12,22H2,1-5H3,(H,23,25)
InChIKeyPTNTZKJDAAGEFH-UHFFFAOYSA-N
XLogP3.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 120666888
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151379
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151195
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151192
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
(E)-N-methyl-3-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 9219295
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
3-(4-bromophenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55997717

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 120667422) is 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1ccc(C(N)C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is PTNTZKJDAAGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13-6-8-17(9-7-13)19(22)21(26)24(5)12-18(25)23-20-15(3)10-14(2)11-16(20)4/h6-11,19H,12,22H2,1-5H3,(H,23,25).
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 120667422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).