N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide

C19H27N3O2 — CID 91626471

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CC=CCC3)CC2)n1
InChIInChI=1S/C19H27N3O2/c1-13-12-14(2)21-19(20-13)24-17-10-8-16(9-11-17)22-18(23)15-6-4-3-5-7-15/h3-4,12,15-17H,5-11H2,1-2H3,(H,22,23)
InChIKeyKRHZEBRDYRJMDD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide (PubChem CID 91626471) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
PubChem CID91626471
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CC=CCC3)CC2)n1
InChIInChI=1S/C19H27N3O2/c1-13-12-14(2)21-19(20-13)24-17-10-8-16(9-11-17)22-18(23)15-6-4-3-5-7-15/h3-4,12,15-17H,5-11H2,1-2H3,(H,22,23)
InChIKeyKRHZEBRDYRJMDD-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide (CID 91626471) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)C3CC=CCC3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KRHZEBRDYRJMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-12-14(2)21-19(20-13)24-17-10-8-16(9-11-17)22-18(23)15-6-4-3-5-7-15/h3-4,12,15-17H,5-11H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91626471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).