N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

C16H24N2O2 — CID 95147881

IUPACN-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-11-5-9-17-16(19)13-18-10-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyNJNQZQFYWUUHNS-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds7

About N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95147881) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95147881
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-11-5-9-17-16(19)13-18-10-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyNJNQZQFYWUUHNS-HNNXBMFYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
N-(3-methoxypropyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506168
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (CID 95147881) is N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is COCCCNC(=O)CN1CC[C@H](c2ccccc2)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is NJNQZQFYWUUHNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-11-5-9-17-16(19)13-18-10-8-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95147881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).