N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

C21H26N2O4 — CID 8586985

IUPACN-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccccc2C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-7-5-6-8-18(17)22-21(25)14-23(2)12-11-16-9-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyXUBHQEPKEYQVDU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.02
Rot. Bonds9

About N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 8586985) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
PubChem CID8586985
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccccc2C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-7-5-6-8-18(17)22-21(25)14-23(2)12-11-16-9-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyXUBHQEPKEYQVDU-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8586967
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-(2-acetylphenyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287860
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8583939
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 8583895
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
CID 109001431
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (CID 8586985) is N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is COc1ccc(CCN(C)CC(=O)Nc2ccccc2C(C)=O)cc1OC.
What is the InChIKey of N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is XUBHQEPKEYQVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(24)17-7-5-6-8-18(17)22-21(25)14-23(2)12-11-16-9-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 8586985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).