N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide

C20H25NO5 — CID 72717724

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-4-26-16-8-5-14(6-9-16)11-20(23)21-13-17(22)15-7-10-18(24-2)19(12-15)25-3/h5-10,12,17,22H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyFZGXLHZANTZALD-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.49
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 72717724) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID72717724
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-4-26-16-8-5-14(6-9-16)11-20(23)21-13-17(22)15-7-10-18(24-2)19(12-15)25-3/h5-10,12,17,22H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyFZGXLHZANTZALD-UHFFFAOYSA-N
XLogP2.49
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 72717760
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 47005175
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide (CID 72717724) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCC(O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is FZGXLHZANTZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-26-16-8-5-14(6-9-16)11-20(23)21-13-17(22)15-7-10-18(24-2)19(12-15)25-3/h5-10,12,17,22H,4,11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 359.42 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 72717724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).