2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C21H25NO3 — CID 78766207

IUPAC2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC=Cc1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-5-8-17-11-12-19(20(13-17)24-4)25-15-21(23)22(3)14-18-10-7-6-9-16(18)2/h5-13H,14-15H2,1-4H3
InChIKeyKIKCYEYYBWVIKX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.07
Rot. Bonds7

About 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 78766207) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID78766207
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC=Cc1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-5-8-17-11-12-19(20(13-17)24-4)25-15-21(23)22(3)14-18-10-7-6-9-16(18)2/h5-13H,14-15H2,1-4H3
InChIKeyKIKCYEYYBWVIKX-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
CID 18170716
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7630650
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-methylacetamide
CID 9468770
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 78766207) is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CC=Cc1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is KIKCYEYYBWVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-8-17-11-12-19(20(13-17)24-4)25-15-21(23)22(3)14-18-10-7-6-9-16(18)2/h5-13H,14-15H2,1-4H3.
What are the key properties of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 78766207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).