2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

C25H28N2O2 — CID 97185415

IUPAC2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NC[C@@H]1CCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28N2O2/c28-25(19-29-24-11-10-22-8-4-5-9-23(22)16-24)26-17-21-13-15-27(18-21)14-12-20-6-2-1-3-7-20/h1-11,16,21H,12-15,17-19H2,(H,26,28)/t21-/m0/s1
InChIKeyQCCSIICVWFQTFZ-NRFANRHFSA-N
MW388.51 g/mol
LogP3.90
Rot. Bonds8

About 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 97185415) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID97185415
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NC[C@@H]1CCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28N2O2/c28-25(19-29-24-11-10-22-8-4-5-9-23(22)16-24)26-17-21-13-15-27(18-21)14-12-20-6-2-1-3-7-20/h1-11,16,21H,12-15,17-19H2,(H,26,28)/t21-/m0/s1
InChIKeyQCCSIICVWFQTFZ-NRFANRHFSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-naphthalen-2-yloxy-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918271
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (CID 97185415) is 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCN(CCc2ccccc2)C1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is QCCSIICVWFQTFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-25(19-29-24-11-10-22-8-4-5-9-23(22)16-24)26-17-21-13-15-27(18-21)14-12-20-6-2-1-3-7-20/h1-11,16,21H,12-15,17-19H2,(H,26,28)/t21-/m0/s1.
What are the key properties of 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97185415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).