N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

C20H23NO5 — CID 2110466

IUPACN-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-5-6-14-7-9-17(18(11-14)24-3)26-13-20(22)21-15-8-10-16(23-2)19(12-15)25-4/h5-12H,13H2,1-4H3,(H,21,22)/b6-5+
InChIKeyLBIVUYDFHLLJJG-AATRIKPKSA-N
MW357.41 g/mol
LogP3.76
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (PubChem CID 2110466) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
PubChem CID2110466
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-5-6-14-7-9-17(18(11-14)24-3)26-13-20(22)21-15-8-10-16(23-2)19(12-15)25-4/h5-12H,13H2,1-4H3,(H,21,22)/b6-5+
InChIKeyLBIVUYDFHLLJJG-AATRIKPKSA-N
XLogP3.76
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (CID 2110466) is N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is C/C=C/c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is LBIVUYDFHLLJJG-AATRIKPKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-5-6-14-7-9-17(18(11-14)24-3)26-13-20(22)21-15-8-10-16(23-2)19(12-15)25-4/h5-12H,13H2,1-4H3,(H,21,22)/b6-5+.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 2110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).