2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide

C22H25NO3 — CID 18009515

IUPAC2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C22H25NO3/c1-2-26-20-11-7-6-10-19(20)21(25)23-16-22(14-12-18(24)13-15-22)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,25)
InChIKeyUKGSOOLBHCJVBI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.90
Rot. Bonds6

About 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide

2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide (PubChem CID 18009515) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
PubChem CID18009515
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C22H25NO3/c1-2-26-20-11-7-6-10-19(20)21(25)23-16-22(14-12-18(24)13-15-22)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,25)
InChIKeyUKGSOOLBHCJVBI-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide (CID 18009515) is 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide is CCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1.
What is the InChIKey of 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The InChIKey is UKGSOOLBHCJVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-26-20-11-7-6-10-19(20)21(25)23-16-22(14-12-18(24)13-15-22)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 18009515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).