N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide

C17H26N2O — CID 95317674

IUPACN-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCCCCCNC(=O)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-3-7-11-18-17(20)14-19-12-10-16(13-19)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyBTJXFBMXFSVPAV-MRXNPFEDSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds7

About N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide

N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95317674) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95317674
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCCCCCNC(=O)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-3-7-11-18-17(20)14-19-12-10-16(13-19)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyBTJXFBMXFSVPAV-MRXNPFEDSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
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
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide (CID 95317674) is N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide is CCCCCNC(=O)CN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is BTJXFBMXFSVPAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-7-11-18-17(20)14-19-12-10-16(13-19)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide?
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95317674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).