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N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide

C22H26N2O5 — CID 18170716

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
SMILESC/C=C/c1ccc(OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c(OC)c1
InChIInChI=1S/C22H26N2O5/c1-5-7-16-10-11-19(20(12-16)28-4)29-15-22(26)24(2)14-21(25)23-17-8-6-9-18(13-17)27-3/h5-13H,14-15H2,1-4H3,(H,23,25)/b7-5+
InChIKeyBPCVQHSXPHPWTJ-FNORWQNLSA-N
MW398.46 g/mol
LogP3.21
Rot. Bonds9

About N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide

N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide (PubChem CID 18170716) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
PubChem CID18170716
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
SMILESC/C=C/c1ccc(OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c(OC)c1
InChIInChI=1S/C22H26N2O5/c1-5-7-16-10-11-19(20(12-16)28-4)29-15-22(26)24(2)14-21(25)23-17-8-6-9-18(13-17)27-3/h5-13H,14-15H2,1-4H3,(H,23,25)/b7-5+
InChIKeyBPCVQHSXPHPWTJ-FNORWQNLSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide (CID 18170716) is N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide is C/C=C/c1ccc(OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide?
The InChIKey is BPCVQHSXPHPWTJ-FNORWQNLSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-7-16-10-11-19(20(12-16)28-4)29-15-22(26)24(2)14-21(25)23-17-8-6-9-18(13-17)27-3/h5-13H,14-15H2,1-4H3,(H,23,25)/b7-5+.
What are the key properties of N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide?
N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide is sourced from PubChem (CID 18170716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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