(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide

C19H24N2O4 — CID 99636971

IUPAC(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
SMILESCOCc1ccc([C@H]2CCCN2C(=O)NCCc2cccc(O)c2)o1
InChIInChI=1S/C19H24N2O4/c1-24-13-16-7-8-18(25-16)17-6-3-11-21(17)19(23)20-10-9-14-4-2-5-15(22)12-14/h2,4-5,7-8,12,17,22H,3,6,9-11,13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyLKFDQHJWKRXVER-QGZVFWFLSA-N
MW344.41 g/mol
LogP3.22
Rot. Bonds6

About (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide

(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 99636971) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
PubChem CID99636971
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
SMILESCOCc1ccc([C@H]2CCCN2C(=O)NCCc2cccc(O)c2)o1
InChIInChI=1S/C19H24N2O4/c1-24-13-16-7-8-18(25-16)17-6-3-11-21(17)19(23)20-10-9-14-4-2-5-15(22)12-14/h2,4-5,7-8,12,17,22H,3,6,9-11,13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyLKFDQHJWKRXVER-QGZVFWFLSA-N
XLogP3.22
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide (CID 99636971) is (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide is COCc1ccc([C@H]2CCCN2C(=O)NCCc2cccc(O)c2)o1.
What is the InChIKey of (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is LKFDQHJWKRXVER-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-13-16-7-8-18(25-16)17-6-3-11-21(17)19(23)20-10-9-14-4-2-5-15(22)12-14/h2,4-5,7-8,12,17,22H,3,6,9-11,13H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide?
(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99636971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).