3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide

C23H28N2O3 — CID 24624995

IUPAC3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-3-15-28-21-12-11-19(16-22(21)27-2)23(26)24-17-20(25-13-7-8-14-25)18-9-5-4-6-10-18/h3-6,9-12,16,20H,1,7-8,13-15,17H2,2H3,(H,24,26)
InChIKeyVXKWQPLDYBZTDZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.83
Rot. Bonds9

About 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide

3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide (PubChem CID 24624995) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
PubChem CID24624995
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-3-15-28-21-12-11-19(16-22(21)27-2)23(26)24-17-20(25-13-7-8-14-25)18-9-5-4-6-10-18/h3-6,9-12,16,20H,1,7-8,13-15,17H2,2H3,(H,24,26)
InChIKeyVXKWQPLDYBZTDZ-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770964
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 110496641
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3,4-dimethoxybenzamide
CID 42457132

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide (CID 24624995) is 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCC2)cc1OC.
What is the InChIKey of 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide?
The InChIKey is VXKWQPLDYBZTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-15-28-21-12-11-19(16-22(21)27-2)23(26)24-17-20(25-13-7-8-14-25)18-9-5-4-6-10-18/h3-6,9-12,16,20H,1,7-8,13-15,17H2,2H3,(H,24,26).
What are the key properties of 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 24624995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).