(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

C19H31N3O2 — CID 166316616

IUPAC(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1C[C@H]2CC(O)C[C@@H](C1)C2
InChIInChI=1S/C19H31N3O2/c1-19(2,3)17(11-22-5-4-20-12-22)21-18(24)15-7-13-6-14(8-15)10-16(23)9-13/h4-5,12-17,23H,6-11H2,1-3H3,(H,21,24)/t13-,14+,15?,16?,17?
InChIKeyRXJBXSHEPHMMNB-JJXSXHAKSA-N
MW333.48 g/mol
LogP2.60
Rot. Bonds4

About (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 166316616) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID166316616
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1C[C@H]2CC(O)C[C@@H](C1)C2
InChIInChI=1S/C19H31N3O2/c1-19(2,3)17(11-22-5-4-20-12-22)21-18(24)15-7-13-6-14(8-15)10-16(23)9-13/h4-5,12-17,23H,6-11H2,1-3H3,(H,21,24)/t13-,14+,15?,16?,17?
InChIKeyRXJBXSHEPHMMNB-JJXSXHAKSA-N
XLogP2.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-1,3-thiazolidine-4-carboxamide
CID 43695419
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
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
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
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
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 166316616) is (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)C1C[C@H]2CC(O)C[C@@H](C1)C2.
What is the InChIKey of (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RXJBXSHEPHMMNB-JJXSXHAKSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)17(11-22-5-4-20-12-22)21-18(24)15-7-13-6-14(8-15)10-16(23)9-13/h4-5,12-17,23H,6-11H2,1-3H3,(H,21,24)/t13-,14+,15?,16?,17?.
What are the key properties of (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 166316616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).