4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride

C14H23ClN2O3 — CID 91660112

IUPAC4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NC2CNC[C@@H]2OC)oc1CC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-9-6-12(19-11(9)5-2)14(17)16-10-7-15-8-13(10)18-3;/h6,10,13,15H,4-5,7-8H2,1-3H3,(H,16,17);1H/t10?,13-;/m0./s1
InChIKeyXXJXQSUNNHSDOG-FOKUGOJKSA-N
MW302.80 g/mol
LogP1.54
Rot. Bonds5

About 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride

4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride (PubChem CID 91660112) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride
PubChem CID91660112
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NC2CNC[C@@H]2OC)oc1CC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-9-6-12(19-11(9)5-2)14(17)16-10-7-15-8-13(10)18-3;/h6,10,13,15H,4-5,7-8H2,1-3H3,(H,16,17);1H/t10?,13-;/m0./s1
InChIKeyXXJXQSUNNHSDOG-FOKUGOJKSA-N
XLogP1.54
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride (CID 91660112) is 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride is CCc1cc(C(=O)NC2CNC[C@@H]2OC)oc1CC.Cl.
What is the InChIKey of 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is XXJXQSUNNHSDOG-FOKUGOJKSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-4-9-6-12(19-11(9)5-2)14(17)16-10-7-15-8-13(10)18-3;/h6,10,13,15H,4-5,7-8H2,1-3H3,(H,16,17);1H/t10?,13-;/m0./s1.
What are the key properties of 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride?
4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 91660112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).