3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide

C16H21NO4 — CID 18160322

IUPAC3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C16H21NO4/c1-3-8-21-14-7-6-12(10-15(14)19-2)16(18)17-11-13-5-4-9-20-13/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,17,18)
InChIKeyMKXNGDAPFHWSHU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.17
Rot. Bonds7

About 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide

3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide (PubChem CID 18160322) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
PubChem CID18160322
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C16H21NO4/c1-3-8-21-14-7-6-12(10-15(14)19-2)16(18)17-11-13-5-4-9-20-13/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,17,18)
InChIKeyMKXNGDAPFHWSHU-UHFFFAOYSA-N
XLogP2.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 154921066
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 55455486
2-[(5Z)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126219610
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide (CID 18160322) is 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC2CCCO2)cc1OC.
What is the InChIKey of 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The InChIKey is MKXNGDAPFHWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-8-21-14-7-6-12(10-15(14)19-2)16(18)17-11-13-5-4-9-20-13/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,17,18).
What are the key properties of 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 18160322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).