2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

C21H26ClN3O2 — CID 17491744

IUPAC2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-15-9-10-16(2)19(11-15)23-20(26)13-25(4)21(27)14-24(3)12-17-7-5-6-8-18(17)22/h5-11H,12-14H2,1-4H3,(H,23,26)
InChIKeyQCWPKPYBWVVBDM-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.49
Rot. Bonds7

About 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 17491744) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID17491744
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-15-9-10-16(2)19(11-15)23-20(26)13-25(4)21(27)14-24(3)12-17-7-5-6-8-18(17)22/h5-11H,12-14H2,1-4H3,(H,23,26)
InChIKeyQCWPKPYBWVVBDM-UHFFFAOYSA-N
XLogP3.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113119482
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 9427990
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
(E)-3-(2-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9479889
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
CID 32540434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (CID 17491744) is 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is QCWPKPYBWVVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-15-9-10-16(2)19(11-15)23-20(26)13-25(4)21(27)14-24(3)12-17-7-5-6-8-18(17)22/h5-11H,12-14H2,1-4H3,(H,23,26).
What are the key properties of 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 17491744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).