(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C20H28N2O2 — CID 97388446

IUPAC(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)18-12-17-9-11-22(14-19(17)24-18)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1
InChIKeyQSMTXLXWXAHCPE-IPMKNSEASA-N
MW328.46 g/mol
LogP2.23
Rot. Bonds6

About (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97388446) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97388446
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1
InChIInChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)18-12-17-9-11-22(14-19(17)24-18)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1
InChIKeyQSMTXLXWXAHCPE-IPMKNSEASA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97388446) is (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QSMTXLXWXAHCPE-IPMKNSEASA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-13-16-6-7-16)18-12-17-9-11-22(14-19(17)24-18)10-8-15-4-2-1-3-5-15/h1-5,16-19H,6-14H2,(H,21,23)/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97388446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).