4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide

C24H33N5O4 — CID 118223562

IUPAC4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCC1COCCN1c1nc(OC2CCC(C(=O)N(C)C)CC2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C24H33N5O4/c1-16-15-32-12-11-29(16)23-25-21(19-6-4-5-17(13-19)14-30)26-24(27-23)33-20-9-7-18(8-10-20)22(31)28(2)3/h4-6,13,16,18,20,30H,7-12,14-15H2,1-3H3
InChIKeyYICNIJXFWZRNHG-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.28
Rot. Bonds6

About 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide

4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 118223562) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID118223562
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCC1COCCN1c1nc(OC2CCC(C(=O)N(C)C)CC2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C24H33N5O4/c1-16-15-32-12-11-29(16)23-25-21(19-6-4-5-17(13-19)14-30)26-24(27-23)33-20-9-7-18(8-10-20)22(31)28(2)3/h4-6,13,16,18,20,30H,7-12,14-15H2,1-3H3
InChIKeyYICNIJXFWZRNHG-UHFFFAOYSA-N
XLogP2.28
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide (CID 118223562) is 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide is CC1COCCN1c1nc(OC2CCC(C(=O)N(C)C)CC2)nc(-c2cccc(CO)c2)n1.
What is the InChIKey of 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is YICNIJXFWZRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-16-15-32-12-11-29(16)23-25-21(19-6-4-5-17(13-19)14-30)26-24(27-23)33-20-9-7-18(8-10-20)22(31)28(2)3/h4-6,13,16,18,20,30H,7-12,14-15H2,1-3H3.
What are the key properties of 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide?
4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(hydroxymethyl)phenyl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 118223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).