N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide

C21H28N2O3 — CID 8908217

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O3/c1-5-16-6-8-17(9-7-16)14-23(2)15-21(24)22-13-18-10-11-19(25-3)20(12-18)26-4/h6-12H,5,13-15H2,1-4H3,(H,22,24)
InChIKeyJIXZMROVNZNVRK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.01
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide (PubChem CID 8908217) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
PubChem CID8908217
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O3/c1-5-16-6-8-17(9-7-16)14-23(2)15-21(24)22-13-18-10-11-19(25-3)20(12-18)26-4/h6-12H,5,13-15H2,1-4H3,(H,22,24)
InChIKeyJIXZMROVNZNVRK-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794511
4-[[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123111
methyl 4-[[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]methyl]benzoate
CID 8584099
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43908101
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8729621
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide (CID 8908217) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide is CCc1ccc(CN(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The InChIKey is JIXZMROVNZNVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-16-6-8-17(9-7-16)14-23(2)15-21(24)22-13-18-10-11-19(25-3)20(12-18)26-4/h6-12H,5,13-15H2,1-4H3,(H,22,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8908217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).