N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide

C21H26ClN3O2 — CID 27095557

IUPACN-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-16-9-11-17(12-10-16)13-24(2)15-21(27)25(3)14-20(26)23-19-8-6-5-7-18(19)22/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyMMPLZWRJRHDYSM-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.43
Rot. Bonds8

About N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide (PubChem CID 27095557) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
PubChem CID27095557
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-16-9-11-17(12-10-16)13-24(2)15-21(27)25(3)14-20(26)23-19-8-6-5-7-18(19)22/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyMMPLZWRJRHDYSM-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
N-(2-chlorophenyl)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]-methylamino]acetamide
CID 27096760
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 38632222
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
CID 32540434
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide (CID 27095557) is N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide is CCc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The InChIKey is MMPLZWRJRHDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-16-9-11-17(12-10-16)13-24(2)15-21(27)25(3)14-20(26)23-19-8-6-5-7-18(19)22/h5-12H,4,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 27095557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).