2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide

C25H27NO5 — CID 11122675

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(O)c(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H27NO5/c1-29-22-11-9-20(15-24(22)30-2)16-25(28)26-13-12-18-8-10-21(27)23(14-18)31-17-19-6-4-3-5-7-19/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,26,28)
InChIKeyFXOHHGPAFQVTTM-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.89
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide (PubChem CID 11122675) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
PubChem CID11122675
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(O)c(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C25H27NO5/c1-29-22-11-9-20(15-24(22)30-2)16-25(28)26-13-12-18-8-10-21(27)23(14-18)31-17-19-6-4-3-5-7-19/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,26,28)
InChIKeyFXOHHGPAFQVTTM-UHFFFAOYSA-N
XLogP3.89
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
4-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methylpentanamide
CID 137465652
[3-(chloromethyl)-2-methoxy-4-[2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethylamino]-2-oxoethyl]phenyl] acetate
CID 56932497
[2-[2-[2-(4-methoxy-3-phenylmethoxyphenyl)ethylamino]-2-oxoethyl]phenyl] 4-methylbenzenesulfonate
CID 11082141

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide (CID 11122675) is 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2ccc(O)c(OCc3ccccc3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide?
The InChIKey is FXOHHGPAFQVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-29-22-11-9-20(15-24(22)30-2)16-25(28)26-13-12-18-8-10-21(27)23(14-18)31-17-19-6-4-3-5-7-19/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide has a molecular weight of 421.49 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 11122675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).