(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde

C24H29NO2 — CID 15712748

IUPAC(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(=O)C(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c26-19-23-16-9-17-25(23)24(27)22(18-21-13-5-2-6-14-21)15-8-7-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,19,22-23H,7-9,12,15-18H2/t22?,23-/m0/s1
InChIKeyLGEGJQCRYDXPQU-WCSIJFPASA-N
MW363.50 g/mol
LogP4.45
Rot. Bonds9

About (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde

(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 15712748) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
PubChem CID15712748
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1C(=O)C(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c26-19-23-16-9-17-25(23)24(27)22(18-21-13-5-2-6-14-21)15-8-7-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,19,22-23H,7-9,12,15-18H2/t22?,23-/m0/s1
InChIKeyLGEGJQCRYDXPQU-WCSIJFPASA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(9-phenyl-2-propan-2-ylnonanoyl)pyrrolidine-2-carbaldehyde
CID 15712745
(2S)-1-(10-phenyl-2-propan-2-yldecanoyl)pyrrolidine-2-carbaldehyde
CID 15712746
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
(2S)-2-amino-N-[(2S)-1-[(2R)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 90969126
(2S)-2-amino-N-[(2S)-5-amino-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 90705274
(4S)-5-[(2S)-2-formylpyrrolidin-1-yl]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 173357645
ethyl 2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 173256308
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 173249573
tert-butyl N-[(E,4S,7S)-7-benzyl-8-[(2S)-2-formylpyrrolidin-1-yl]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 156628381
(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
CID 140994321
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88871264
3-[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]prop-2-enoic acid
CID 70414629

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde (CID 15712748) is (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde is O=C[C@@H]1CCCN1C(=O)C(CCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is LGEGJQCRYDXPQU-WCSIJFPASA-N. The full InChI is InChI=1S/C24H29NO2/c26-19-23-16-9-17-25(23)24(27)22(18-21-13-5-2-6-14-21)15-8-7-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,19,22-23H,7-9,12,15-18H2/t22?,23-/m0/s1.
What are the key properties of (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde?
(2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 363.50 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-benzyl-6-phenylhexanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 15712748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).