(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide

C20H24N2O — CID 32728580

IUPAC(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C20H24N2O/c1-16(22-13-7-8-14-22)20(23)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyIAMYJZLYBHNNIY-INIZCTEOSA-N
MW308.43 g/mol
LogP3.70
Rot. Bonds5

About (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide

(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 32728580) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID32728580
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C20H24N2O/c1-16(22-13-7-8-14-22)20(23)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyIAMYJZLYBHNNIY-INIZCTEOSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
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(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide (CID 32728580) is (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide is C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1.
What is the InChIKey of (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is IAMYJZLYBHNNIY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(22-13-7-8-14-22)20(23)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide?
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 308.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 32728580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).