2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C18H25NO4 — CID 17451041

IUPAC2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C(C)C)CC2)c(OC)c1
InChIInChI=1S/C18H25NO4/c1-12(2)18(20)19-8-6-13(7-9-19)17-15(22-4)10-14(21-3)11-16(17)23-5/h6,10-12H,7-9H2,1-5H3
InChIKeyDSUQBGVDBGIZJY-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 17451041) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID17451041
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C(C)C)CC2)c(OC)c1
InChIInChI=1S/C18H25NO4/c1-12(2)18(20)19-8-6-13(7-9-19)17-15(22-4)10-14(21-3)11-16(17)23-5/h6,10-12H,7-9H2,1-5H3
InChIKeyDSUQBGVDBGIZJY-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 17451041) is 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is COc1cc(OC)c(C2=CCN(C(=O)C(C)C)CC2)c(OC)c1.
What is the InChIKey of 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is DSUQBGVDBGIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12(2)18(20)19-8-6-13(7-9-19)17-15(22-4)10-14(21-3)11-16(17)23-5/h6,10-12H,7-9H2,1-5H3.
What are the key properties of 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 319.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 17451041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).