2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide

C21H33N3O2 — CID 97445983

IUPAC2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C21H33N3O2/c1-19(2,3)17(12-24-5-4-22-14-24)23-18(25)11-20-7-15-6-16(8-20)10-21(26,9-15)13-20/h4-5,14-17,26H,6-13H2,1-3H3,(H,23,25)/t15-,16+,17-,20?,21?/m1/s1
InChIKeyUEPQVCFXPJNKTM-LNYVXCIOSA-N
MW359.51 g/mol
LogP3.14
Rot. Bonds5

About 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 97445983) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
PubChem CID97445983
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C21H33N3O2/c1-19(2,3)17(12-24-5-4-22-14-24)23-18(25)11-20-7-15-6-16(8-20)10-21(26,9-15)13-20/h4-5,14-17,26H,6-13H2,1-3H3,(H,23,25)/t15-,16+,17-,20?,21?/m1/s1
InChIKeyUEPQVCFXPJNKTM-LNYVXCIOSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide 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

2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632
(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 166316616
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
CID 43695422
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide (CID 97445983) is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide is CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is UEPQVCFXPJNKTM-LNYVXCIOSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-19(2,3)17(12-24-5-4-22-14-24)23-18(25)11-20-7-15-6-16(8-20)10-21(26,9-15)13-20/h4-5,14-17,26H,6-13H2,1-3H3,(H,23,25)/t15-,16+,17-,20?,21?/m1/s1.
What are the key properties of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide?
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 97445983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).