3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

C17H24N2O3 — CID 119537216

IUPAC3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESC=CCOc1ccc(C(=O)NCCC2CCNC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-3-10-22-15-5-4-14(11-16(15)21-2)17(20)19-9-7-13-6-8-18-12-13/h3-5,11,13,18H,1,6-10,12H2,2H3,(H,19,20)
InChIKeyWCLQFOSRFIKFIJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.99
Rot. Bonds8

About 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537216) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537216
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESC=CCOc1ccc(C(=O)NCCC2CCNC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-3-10-22-15-5-4-14(11-16(15)21-2)17(20)19-9-7-13-6-8-18-12-13/h3-5,11,13,18H,1,6-10,12H2,2H3,(H,19,20)
InChIKeyWCLQFOSRFIKFIJ-UHFFFAOYSA-N
XLogP1.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
4-ethoxy-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535571
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537216) is 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is C=CCOc1ccc(C(=O)NCCC2CCNC2)cc1OC.
What is the InChIKey of 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is WCLQFOSRFIKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-10-22-15-5-4-14(11-16(15)21-2)17(20)19-9-7-13-6-8-18-12-13/h3-5,11,13,18H,1,6-10,12H2,2H3,(H,19,20).
What are the key properties of 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).