2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C19H23NO4 — CID 28560338

IUPAC2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C19H23NO4/c1-13(16-7-5-6-8-18(16)24-4)20-19(21)12-14-11-15(22-2)9-10-17(14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyKVKLELHCKLLRRB-ZDUSSCGKSA-N
MW329.40 g/mol
LogP3.13
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28560338) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28560338
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)N[C@@H](C)c2ccccc2OC)c1
InChIInChI=1S/C19H23NO4/c1-13(16-7-5-6-8-18(16)24-4)20-19(21)12-14-11-15(22-2)9-10-17(14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyKVKLELHCKLLRRB-ZDUSSCGKSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28560338) is 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(CC(=O)N[C@@H](C)c2ccccc2OC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is KVKLELHCKLLRRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(16-7-5-6-8-18(16)24-4)20-19(21)12-14-11-15(22-2)9-10-17(14)23-3/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28560338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).