N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide

C20H25NO4 — CID 9245794

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2C)cc1OC
InChIInChI=1S/C20H25NO4/c1-15-6-4-5-7-17(15)25-13-11-20(22)21-12-10-16-8-9-18(23-2)19(14-16)24-3/h4-9,14H,10-13H2,1-3H3,(H,21,22)
InChIKeyUQTPOUOAYIAVSJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 9245794) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
PubChem CID9245794
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2C)cc1OC
InChIInChI=1S/C20H25NO4/c1-15-6-4-5-7-17(15)25-13-11-20(22)21-12-10-16-8-9-18(23-2)19(14-16)24-3/h4-9,14H,10-13H2,1-3H3,(H,21,22)
InChIKeyUQTPOUOAYIAVSJ-UHFFFAOYSA-N
XLogP3.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
CID 84564084
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277379

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide (CID 9245794) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide is COc1ccc(CCNC(=O)CCOc2ccccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is UQTPOUOAYIAVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-6-4-5-7-17(15)25-13-11-20(22)21-12-10-16-8-9-18(23-2)19(14-16)24-3/h4-9,14H,10-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9245794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).