N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide

C21H28N2O2 — CID 15983566

IUPACN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-5-9-18(10-6-16)20(13-14-23(2)3)22-21(24)15-17-7-11-19(25-4)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,22,24)
InChIKeyARWGASRCMDRTJX-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.36
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide

N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 15983566) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide
PubChem CID15983566
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16-5-9-18(10-6-16)20(13-14-23(2)3)22-21(24)15-17-7-11-19(25-4)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,22,24)
InChIKeyARWGASRCMDRTJX-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide (CID 15983566) is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ARWGASRCMDRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-5-9-18(10-6-16)20(13-14-23(2)3)22-21(24)15-17-7-11-19(25-4)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide?
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15983566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).