[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate

C23H29NO5 — CID 148526688

IUPAC[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate
SMILESCCC(=O)OC(Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C23H29NO5/c1-5-23(26)29-22(13-24-15(2)10-19(25)11-16(24)3)18-8-9-20(27-4)21(12-18)28-14-17-6-7-17/h8-12,17,22H,5-7,13-14H2,1-4H3
InChIKeyMPMCALAXKCQKHH-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.96
Rot. Bonds9

About [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate

[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate (PubChem CID 148526688) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate.

Molecular Properties

Compound Name[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate
PubChem CID148526688
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate
SMILESCCC(=O)OC(Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C23H29NO5/c1-5-23(26)29-22(13-24-15(2)10-19(25)11-16(24)3)18-8-9-20(27-4)21(12-18)28-14-17-6-7-17/h8-12,17,22H,5-7,13-14H2,1-4H3
InChIKeyMPMCALAXKCQKHH-UHFFFAOYSA-N
XLogP3.96
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate?
The IUPAC name of [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate (CID 148526688) is [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate.
What is the SMILES notation for [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate?
The canonical SMILES for [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate is CCC(=O)OC(Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1.
What is the InChIKey of [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate?
The InChIKey is MPMCALAXKCQKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-5-23(26)29-22(13-24-15(2)10-19(25)11-16(24)3)18-8-9-20(27-4)21(12-18)28-14-17-6-7-17/h8-12,17,22H,5-7,13-14H2,1-4H3.
What are the key properties of [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate?
[1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate has a molecular weight of 399.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl] propanoate is sourced from PubChem (CID 148526688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).