3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C21H26N2O2 — CID 46402981

IUPAC3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-7-17(8-11-20)9-12-21(24)22-15-18-13-14-23(16-18)19-5-3-2-4-6-19/h2-8,10-11,18H,9,12-16H2,1H3,(H,22,24)
InChIKeyZPSQSJOGYNFKGX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.27
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 46402981) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID46402981
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-10-7-17(8-11-20)9-12-21(24)22-15-18-13-14-23(16-18)19-5-3-2-4-6-19/h2-8,10-11,18H,9,12-16H2,1H3,(H,22,24)
InChIKeyZPSQSJOGYNFKGX-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 46402981) is 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is ZPSQSJOGYNFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-10-7-17(8-11-20)9-12-21(24)22-15-18-13-14-23(16-18)19-5-3-2-4-6-19/h2-8,10-11,18H,9,12-16H2,1H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 46402981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).