3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide

C23H30N2O3 — CID 46441486

IUPAC3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1OCC
InChIInChI=1S/C23H30N2O3/c1-3-14-28-21-11-10-19(15-22(21)27-4-2)23(26)24-16-18-12-13-25(17-18)20-8-6-5-7-9-20/h5-11,15,18H,3-4,12-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGTCYTUHNTGBCJU-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.13
Rot. Bonds9

About 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide

3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide (PubChem CID 46441486) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
PubChem CID46441486
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1OCC
InChIInChI=1S/C23H30N2O3/c1-3-14-28-21-11-10-19(15-22(21)27-4-2)23(26)24-16-18-12-13-25(17-18)20-8-6-5-7-9-20/h5-11,15,18H,3-4,12-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGTCYTUHNTGBCJU-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide 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

3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111246064
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide (CID 46441486) is 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide?
The InChIKey is GTCYTUHNTGBCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-14-28-21-11-10-19(15-22(21)27-4-2)23(26)24-16-18-12-13-25(17-18)20-8-6-5-7-9-20/h5-11,15,18H,3-4,12-14,16-17H2,1-2H3,(H,24,26).
What are the key properties of 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide?
3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 46441486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).