N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide

C22H27N3O3 — CID 26714971

IUPACN-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)22(17(3)11-15)24-20(27)14-25(4)21(28)13-23-19(26)12-18-8-6-5-7-9-18/h5-11H,12-14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyPZMNKBHNAAFFAO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.37
Rot. Bonds7

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

N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 26714971) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID26714971
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)22(17(3)11-15)24-20(27)14-25(4)21(28)13-23-19(26)12-18-8-6-5-7-9-18/h5-11H,12-14H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyPZMNKBHNAAFFAO-UHFFFAOYSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]carbamate
CID 75415569
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
3,5-dimethoxy-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]benzamide
CID 9219213
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540885
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692886

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 26714971) is N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)Cc2ccccc2)c(C)c1.
What is the InChIKey of N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is PZMNKBHNAAFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-10-16(2)22(17(3)11-15)24-20(27)14-25(4)21(28)13-23-19(26)12-18-8-6-5-7-9-18/h5-11H,12-14H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 26714971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).