[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate

C17H17NO4 — CID 3362065

IUPAC[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1CNC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C17H17NO4/c1-12(19)22-16-10-6-4-8-14(16)17(20)18-11-13-7-3-5-9-15(13)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyJCWKXEXGDRKMNN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.55
Rot. Bonds5

About [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate

[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate (PubChem CID 3362065) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
PubChem CID3362065
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1CNC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C17H17NO4/c1-12(19)22-16-10-6-4-8-14(16)17(20)18-11-13-7-3-5-9-15(13)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyJCWKXEXGDRKMNN-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide
CID 174408335
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate (CID 3362065) is [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate is COc1ccccc1CNC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate?
The InChIKey is JCWKXEXGDRKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(19)22-16-10-6-4-8-14(16)17(20)18-11-13-7-3-5-9-15(13)21-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate?
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate has a molecular weight of 299.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 3362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).