N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C17H25NO5 — CID 24818307

IUPACN-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C17H25NO5/c1-20-14-9-12(10-15(21-2)17(14)22-3)6-7-16(19)18-11-13-5-4-8-23-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyKIMZZXDPJSWAOS-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.94
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 24818307) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID24818307
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC NameN-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C17H25NO5/c1-20-14-9-12(10-15(21-2)17(14)22-3)6-7-16(19)18-11-13-5-4-8-23-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyKIMZZXDPJSWAOS-UHFFFAOYSA-N
XLogP1.94
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 24818307) is N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCC2CCCO2)cc(OC)c1OC.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is KIMZZXDPJSWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-20-14-9-12(10-15(21-2)17(14)22-3)6-7-16(19)18-11-13-5-4-8-23-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 323.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 24818307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).