(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H21NO2 — CID 900167

IUPAC(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-15-8-6-14(7-9-15)18-16(19)17(2)11-12-4-5-13(17)10-12/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,19)/t12-,13+,17-/m1/s1
InChIKeyJSPMBDXGNFGWDS-IIYDPXPESA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds4

About (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 900167) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID900167
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-15-8-6-14(7-9-15)18-16(19)17(2)11-12-4-5-13(17)10-12/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,19)/t12-,13+,17-/m1/s1
InChIKeyJSPMBDXGNFGWDS-IIYDPXPESA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,4R)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11871911
(1R,2R,4S)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98122213
(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 6979343
N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3706751
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]phenyl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 21369046
(1R,2R,4S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98892495
N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
CID 100778858
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 900167) is (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCOc1ccc(NC(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)cc1.
What is the InChIKey of (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JSPMBDXGNFGWDS-IIYDPXPESA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-15-8-6-14(7-9-15)18-16(19)17(2)11-12-4-5-13(17)10-12/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,19)/t12-,13+,17-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 900167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).