(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C19H19NO2 — CID 98536736

IUPAC(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C19H19NO2/c21-19(16-12-13-8-9-15(16)11-13)20-18(17-7-4-10-22-17)14-5-2-1-3-6-14/h1-10,13,15-16,18H,11-12H2,(H,20,21)/t13-,15-,16+,18+/m0/s1
InChIKeyKUNKXRPNZWMCTE-KMANFZQXSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds4

About (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98536736) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98536736
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C19H19NO2/c21-19(16-12-13-8-9-15(16)11-13)20-18(17-7-4-10-22-17)14-5-2-1-3-6-14/h1-10,13,15-16,18H,11-12H2,(H,20,21)/t13-,15-,16+,18+/m0/s1
InChIKeyKUNKXRPNZWMCTE-KMANFZQXSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
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

(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352
N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036544
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98302763
(1S,2R,3R,4R)-3-(benzhydrylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 785990
N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 68595590
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
2-(azetidin-3-ylidene)-N-[furan-2-yl(phenyl)methyl]propanamide
CID 116675611
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98536736) is (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(N[C@H](c1ccccc1)c1ccco1)[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KUNKXRPNZWMCTE-KMANFZQXSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(16-12-13-8-9-15(16)11-13)20-18(17-7-4-10-22-17)14-5-2-1-3-6-14/h1-10,13,15-16,18H,11-12H2,(H,20,21)/t13-,15-,16+,18+/m0/s1.
What are the key properties of (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98536736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).