2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide

C18H26N2O3 — CID 24982263

IUPAC2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1CCCCC1C
InChIInChI=1S/C18H26N2O3/c1-13-7-3-5-9-15(13)20-17(21)11-12-19-18(22)14-8-4-6-10-16(14)23-2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXIWFRAZLFQJSSD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds6

About 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide (PubChem CID 24982263) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
PubChem CID24982263
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1CCCCC1C
InChIInChI=1S/C18H26N2O3/c1-13-7-3-5-9-15(13)20-17(21)11-12-19-18(22)14-8-4-6-10-16(14)23-2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXIWFRAZLFQJSSD-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide (CID 24982263) is 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NC1CCCCC1C.
What is the InChIKey of 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The InChIKey is XIWFRAZLFQJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-7-3-5-9-15(13)20-17(21)11-12-19-18(22)14-8-4-6-10-16(14)23-2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).