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

C17H24N2O — CID 95321250

IUPACN-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O/c1-13(14-7-8-14)18-17(20)12-19-10-9-16(11-19)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyRYMYSNIOPUTGFJ-CJNGLKHVSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds5

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

N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95321250) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95321250
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O/c1-13(14-7-8-14)18-17(20)12-19-10-9-16(11-19)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyRYMYSNIOPUTGFJ-CJNGLKHVSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (CID 95321250) is N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is C[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is RYMYSNIOPUTGFJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(14-7-8-14)18-17(20)12-19-10-9-16(11-19)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95321250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).