N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide

C18H20N2O3 — CID 39575947

IUPACN-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-3-4-9-17(13)23-12-18(22)19-11-15-7-5-8-16(10-15)20-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYHZNKYBTWKDLDP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide

N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 39575947) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID39575947
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-3-4-9-17(13)23-12-18(22)19-11-15-7-5-8-16(10-15)20-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYHZNKYBTWKDLDP-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923905
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
CID 55697379

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide (CID 39575947) is N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide is CC(=O)Nc1cccc(CNC(=O)COc2ccccc2C)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is YHZNKYBTWKDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-3-4-9-17(13)23-12-18(22)19-11-15-7-5-8-16(10-15)20-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 39575947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).