(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H21NO2 — CID 102059311

IUPAC(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@H]1[C@@H](C(=O)N[C@H](CO)c2ccccc2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H21NO2/c1-11-13-7-8-14(9-13)16(11)17(20)18-15(10-19)12-5-3-2-4-6-12/h2-8,11,13-16,19H,9-10H2,1H3,(H,18,20)/t11-,13+,14-,15+,16+/m0/s1
InChIKeyWYESVHUZOFIJEZ-PJGLDBICSA-N
MW271.36 g/mol
LogP2.29
Rot. Bonds4

About (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 102059311) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID102059311
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@H]1[C@@H](C(=O)N[C@H](CO)c2ccccc2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H21NO2/c1-11-13-7-8-14(9-13)16(11)17(20)18-15(10-19)12-5-3-2-4-6-12/h2-8,11,13-16,19H,9-10H2,1H3,(H,18,20)/t11-,13+,14-,15+,16+/m0/s1
InChIKeyWYESVHUZOFIJEZ-PJGLDBICSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide 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-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
(1R,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152610
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
(1R,2S,3S,4R)-3-[[(1S)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152611
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
(1S,2R,3R,4R)-3-(benzhydrylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 785990
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779419

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 102059311) is (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is C[C@@H]1[C@@H](C(=O)N[C@H](CO)c2ccccc2)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is WYESVHUZOFIJEZ-PJGLDBICSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-13-7-8-14(9-13)16(11)17(20)18-15(10-19)12-5-3-2-4-6-12/h2-8,11,13-16,19H,9-10H2,1H3,(H,18,20)/t11-,13+,14-,15+,16+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 102059311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).