2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C15H24N2O2 — CID 62035518

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)CN(CCO)C2CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-16-8-7-13(11-16)15(19)12-17(9-10-18)14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3
InChIKeyLIMXJSONWJAJPE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62035518) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62035518
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)CN(CCO)C2CCCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-16-8-7-13(11-16)15(19)12-17(9-10-18)14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3
InChIKeyLIMXJSONWJAJPE-UHFFFAOYSA-N
XLogP1.83
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 62035518) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)CN(CCO)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is LIMXJSONWJAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-8-7-13(11-16)15(19)12-17(9-10-18)14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62035518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).