N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide

C19H24N4O — CID 98785968

IUPACN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N4O/c1-13(18-10-14-7-8-15(18)9-14)21-19(24)11-16-12-20-23(22-16)17-5-3-2-4-6-17/h2-6,12-15,18H,7-11H2,1H3,(H,21,24)/t13-,14-,15-,18-/m0/s1
InChIKeyOHPOFHLXUXSUAU-XSWJXKHESA-N
MW324.43 g/mol
LogP2.75
Rot. Bonds5

About N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide (PubChem CID 98785968) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
PubChem CID98785968
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N4O/c1-13(18-10-14-7-8-15(18)9-14)21-19(24)11-16-12-20-23(22-16)17-5-3-2-4-6-17/h2-6,12-15,18H,7-11H2,1H3,(H,21,24)/t13-,14-,15-,18-/m0/s1
InChIKeyOHPOFHLXUXSUAU-XSWJXKHESA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-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

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 98750977
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 98161251
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 98375689
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 98306402
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 98752046
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 98752047
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297174
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297172
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide (CID 98785968) is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide is C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide?
The InChIKey is OHPOFHLXUXSUAU-XSWJXKHESA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(18-10-14-7-8-15(18)9-14)21-19(24)11-16-12-20-23(22-16)17-5-3-2-4-6-17/h2-6,12-15,18H,7-11H2,1H3,(H,21,24)/t13-,14-,15-,18-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide?
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 98785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).