2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C18H26N2O3 — CID 25162477

IUPAC2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-20(18(22)11-14-7-4-3-5-8-14)13-17(21)19-15-9-6-10-16(12-15)23-2/h6,9-10,12,14H,3-5,7-8,11,13H2,1-2H3,(H,19,21)
InChIKeyPXSLKCXVPOWNEX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.06
Rot. Bonds6

About 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 25162477) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID25162477
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-20(18(22)11-14-7-4-3-5-8-14)13-17(21)19-15-9-6-10-16(12-15)23-2/h6,9-10,12,14H,3-5,7-8,11,13H2,1-2H3,(H,19,21)
InChIKeyPXSLKCXVPOWNEX-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 25162477) is 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is PXSLKCXVPOWNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(18(22)11-14-7-4-3-5-8-14)13-17(21)19-15-9-6-10-16(12-15)23-2/h6,9-10,12,14H,3-5,7-8,11,13H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 318.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 25162477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).