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

C21H23NO3 — CID 10268705

IUPAC2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C21H23NO3/c1-25-19-10-6-5-9-18(19)20(24)22-15-21(13-11-17(23)12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)
InChIKeyRJSMFDVWSTTYQJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.51
Rot. Bonds5

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

2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide (PubChem CID 10268705) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
PubChem CID10268705
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1
InChIInChI=1S/C21H23NO3/c1-25-19-10-6-5-9-18(19)20(24)22-15-21(13-11-17(23)12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24)
InChIKeyRJSMFDVWSTTYQJ-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide (CID 10268705) is 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1.
What is the InChIKey of 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
The InChIKey is RJSMFDVWSTTYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-25-19-10-6-5-9-18(19)20(24)22-15-21(13-11-17(23)12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,24).
What are the key properties of 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide?
2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-oxo-1-phenylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 10268705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).