CID 165393562

C26H28NO — CID 165393562

IUPAC—
SMILESC#CC1CCN(C(=O)C(C)C)C1Cc1cccc(C#CC2(C)CC3=C([CH]3)C2)c1
InChIInChI=1S/C26H28NO/c1-5-21-10-12-27(25(28)18(2)3)24(21)14-20-8-6-7-19(13-20)9-11-26(4)16-22-15-23(22)17-26/h1,6-8,13,15,18,21,24H,10,12,14,16-17H2,2-4H3
InChIKeyGCCIUIFTFCEGCK-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.40
Rot. Bonds3

About CID 165393562

CID 165393562 (PubChem CID 165393562) has the molecular formula C26H28NO and a molecular weight of 370.52 g/mol.

Molecular Properties

Compound NameCID 165393562
PubChem CID165393562
Molecular FormulaC26H28NO
Molecular Weight370.52 g/mol
Exact Mass370.22
IUPAC Name—
SMILESC#CC1CCN(C(=O)C(C)C)C1Cc1cccc(C#CC2(C)CC3=C([CH]3)C2)c1
InChIInChI=1S/C26H28NO/c1-5-21-10-12-27(25(28)18(2)3)24(21)14-20-8-6-7-19(13-20)9-11-26(4)16-22-15-23(22)17-26/h1,6-8,13,15,18,21,24H,10,12,14,16-17H2,2-4H3
InChIKeyGCCIUIFTFCEGCK-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 165393562 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

N-[(2R,3R)-2-[[3-[2-(3-methyloxetan-3-yl)ethynyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide
CID 175628956
N-[(2R,3R)-1-(2-methylpropanoyl)-2-[[3-[2-(oxetan-3-yl)ethynyl]phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 175628964
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461267
N-[(2R,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461386
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609
N-[2-[[3-(2-fluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461642
N-[(2S,3S)-2-[[3-(2,3-difluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461108
N-[6-(2-methylpropanoyl)-7-[(3-phenylphenyl)methyl]-6-azaspiro[3.4]octan-8-yl]methanesulfonamide
CID 169036793
CID 154665197
CID 154665197
1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95160990
(1-methylcyclopropyl)methyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461947
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242

Frequently Asked Questions

What is the IUPAC name of CID 165393562?
The IUPAC name of CID 165393562 (CID 165393562) is not available.
What is the SMILES notation for CID 165393562?
The canonical SMILES for CID 165393562 is C#CC1CCN(C(=O)C(C)C)C1Cc1cccc(C#CC2(C)CC3=C([CH]3)C2)c1.
What is the InChIKey of CID 165393562?
The InChIKey is GCCIUIFTFCEGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28NO/c1-5-21-10-12-27(25(28)18(2)3)24(21)14-20-8-6-7-19(13-20)9-11-26(4)16-22-15-23(22)17-26/h1,6-8,13,15,18,21,24H,10,12,14,16-17H2,2-4H3.
What are the key properties of CID 165393562?
CID 165393562 has a molecular weight of 370.52 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165393562 is sourced from PubChem (CID 165393562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).