N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide

C20H25NO4 — CID 86871732

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-15(18-10-9-17(23-2)13-19(18)24-3)21-20(22)14-25-12-11-16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyBYSFXBKPLYLFQN-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds9

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide (PubChem CID 86871732) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
PubChem CID86871732
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-15(18-10-9-17(23-2)13-19(18)24-3)21-20(22)14-25-12-11-16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyBYSFXBKPLYLFQN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134053810
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
3-(1,3-benzothiazol-2-yl)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
CID 55579307
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 134053685
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285372

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide (CID 86871732) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide is COc1ccc(C(C)NC(=O)COCCc2ccccc2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide?
The InChIKey is BYSFXBKPLYLFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(18-10-9-17(23-2)13-19(18)24-3)21-20(22)14-25-12-11-16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide 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-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 86871732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).