N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide

C20H23NO4 — CID 7834385

IUPACN-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1OCC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)12-20(23)21-16-10-8-15(9-11-16)17(22)13-25-19-7-5-4-6-18(19)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyAZJLJHYJKVJVLA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds8

About N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide

N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide (PubChem CID 7834385) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
PubChem CID7834385
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1OCC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)12-20(23)21-16-10-8-15(9-11-16)17(22)13-25-19-7-5-4-6-18(19)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyAZJLJHYJKVJVLA-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871049
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7467139
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7818621
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 18268074
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983066

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide (CID 7834385) is N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide is COc1ccccc1OCC(=O)c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide?
The InChIKey is AZJLJHYJKVJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)12-20(23)21-16-10-8-15(9-11-16)17(22)13-25-19-7-5-4-6-18(19)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide?
N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide has a molecular weight of 341.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 7834385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).