2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C20H26ClN3O — CID 112800289

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O/c1-23(2)19(17-9-5-4-6-10-17)13-22-20(25)15-24(3)14-16-8-7-11-18(21)12-16/h4-12,19H,13-15H2,1-3H3,(H,22,25)
InChIKeyMQQDJFAXUOFGKZ-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.19
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 112800289) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID112800289
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O/c1-23(2)19(17-9-5-4-6-10-17)13-22-20(25)15-24(3)14-16-8-7-11-18(21)12-16/h4-12,19H,13-15H2,1-3H3,(H,22,25)
InChIKeyMQQDJFAXUOFGKZ-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 112800287
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
CID 94897707

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 112800289) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is CN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is MQQDJFAXUOFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-23(2)19(17-9-5-4-6-10-17)13-22-20(25)15-24(3)14-16-8-7-11-18(21)12-16/h4-12,19H,13-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 359.90 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 112800289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).