2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

C22H28ClN3O2 — CID 55439456

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN3O2/c1-5-17-10-7-9-13-20(17)24-21(27)15-26(4)22(28)16(2)25(3)14-18-11-6-8-12-19(18)23/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyGDEYSAUBFQJGHJ-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.82
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 55439456) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID55439456
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C22H28ClN3O2/c1-5-17-10-7-9-13-20(17)24-21(27)15-26(4)22(28)16(2)25(3)14-18-11-6-8-12-19(18)23/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyGDEYSAUBFQJGHJ-UHFFFAOYSA-N
XLogP3.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 24573425
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 71856374
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8963893
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 55439456) is 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is GDEYSAUBFQJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-5-17-10-7-9-13-20(17)24-21(27)15-26(4)22(28)16(2)25(3)14-18-11-6-8-12-19(18)23/h6-13,16H,5,14-15H2,1-4H3,(H,24,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 401.94 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 55439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).