N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide

C18H23N3O2 — CID 176923780

IUPACN-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1Oc1cncnc1C)C(C)C
InChIInChI=1S/C18H23N3O2/c1-6-21(12(2)3)18(22)15-9-13(4)7-8-16(15)23-17-10-19-11-20-14(17)5/h7-12H,6H2,1-5H3
InChIKeyCHIXGZPBDHVUQL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds5

About N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide

N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide (PubChem CID 176923780) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide
PubChem CID176923780
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1Oc1cncnc1C)C(C)C
InChIInChI=1S/C18H23N3O2/c1-6-21(12(2)3)18(22)15-9-13(4)7-8-16(15)23-17-10-19-11-20-14(17)5/h7-12H,6H2,1-5H3
InChIKeyCHIXGZPBDHVUQL-UHFFFAOYSA-N
XLogP3.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide (CID 176923780) is N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(C)ccc1Oc1cncnc1C)C(C)C.
What is the InChIKey of N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide?
The InChIKey is CHIXGZPBDHVUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-6-21(12(2)3)18(22)15-9-13(4)7-8-16(15)23-17-10-19-11-20-14(17)5/h7-12H,6H2,1-5H3.
What are the key properties of N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide?
N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 176923780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).