2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide

C21H26N2O3 — CID 11696081

IUPAC2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
SMILESCC(C)CC(C)NC(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)11-15(3)23-21(25)17-8-6-7-16(12-17)13-26-19-10-5-4-9-18(19)20(22)24/h4-10,12,14-15H,11,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyHZSSPGGBCSEPOA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.53
Rot. Bonds8

About 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide

2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide (PubChem CID 11696081) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
PubChem CID11696081
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
SMILESCC(C)CC(C)NC(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)11-15(3)23-21(25)17-8-6-7-16(12-17)13-26-19-10-5-4-9-18(19)20(22)24/h4-10,12,14-15H,11,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyHZSSPGGBCSEPOA-UHFFFAOYSA-N
XLogP3.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide (CID 11696081) is 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide is CC(C)CC(C)NC(=O)c1cccc(COc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide?
The InChIKey is HZSSPGGBCSEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)11-15(3)23-21(25)17-8-6-7-16(12-17)13-26-19-10-5-4-9-18(19)20(22)24/h4-10,12,14-15H,11,13H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide?
2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 11696081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).