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

C16H23NO5 — CID 18168436

IUPACN-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h7-8,12H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyJMHWQUZXMWJOIK-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.55
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 18168436) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID18168436
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h7-8,12H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyJMHWQUZXMWJOIK-UHFFFAOYSA-N
XLogP1.55
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019364
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-(oxolan-2-ylmethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3740965
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499672
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111139406
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 7031870

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 18168436) is N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC2CCCO2)cc(OC)c1OC.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JMHWQUZXMWJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h7-8,12H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).