3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide

C25H28N2O2 — CID 99883088

IUPAC3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-29-24-15-13-19-8-5-6-12-22(19)23(24)14-16-25(28)26-18-21-11-7-17-27(21)20-9-3-2-4-10-20/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyQZWQZCXTXSWQIS-OAQYLSRUSA-N
MW388.51 g/mol
LogP4.57
Rot. Bonds7

About 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide

3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 99883088) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
PubChem CID99883088
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-29-24-15-13-19-8-5-6-12-22(19)23(24)14-16-25(28)26-18-21-11-7-17-27(21)20-9-3-2-4-10-20/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyQZWQZCXTXSWQIS-OAQYLSRUSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 90619835
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
(E)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 99903531
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619793
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide (CID 99883088) is 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide is COc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1ccccc1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is QZWQZCXTXSWQIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-29-24-15-13-19-8-5-6-12-22(19)23(24)14-16-25(28)26-18-21-11-7-17-27(21)20-9-3-2-4-10-20/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 99883088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).