(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide

C20H28N2O3 — CID 95267149

IUPAC(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2
InChIInChI=1S/C20H28N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-18(24)13-9-17(23)22(11-13)12-15-5-4-8-25-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3,(H,21,24)/t13-,14+,16-,20-/m1/s1
InChIKeyDDTCFJYEBXWJSJ-FKEXNYPISA-N
MW344.46 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide (PubChem CID 95267149) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
PubChem CID95267149
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2
InChIInChI=1S/C20H28N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-18(24)13-9-17(23)22(11-13)12-15-5-4-8-25-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3,(H,21,24)/t13-,14+,16-,20-/m1/s1
InChIKeyDDTCFJYEBXWJSJ-FKEXNYPISA-N
XLogP2.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide (CID 95267149) is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide is CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide?
The InChIKey is DDTCFJYEBXWJSJ-FKEXNYPISA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-18(24)13-9-17(23)22(11-13)12-15-5-4-8-25-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3,(H,21,24)/t13-,14+,16-,20-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95267149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).