5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide

C18H28N2O4 — CID 72837802

IUPAC5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCC(C)[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)c1ccc(CO)o1
InChIInChI=1S/C18H28N2O4/c1-12(2)15-9-20(13-5-7-23-8-6-13)10-16(15)19-18(22)17-4-3-14(11-21)24-17/h3-4,12-13,15-16,21H,5-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyCAPIDXKKJXMIKE-CVEARBPZSA-N
MW336.43 g/mol
LogP1.64
Rot. Bonds5

About 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide

5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 72837802) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID72837802
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCC(C)[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)c1ccc(CO)o1
InChIInChI=1S/C18H28N2O4/c1-12(2)15-9-20(13-5-7-23-8-6-13)10-16(15)19-18(22)17-4-3-14(11-21)24-17/h3-4,12-13,15-16,21H,5-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyCAPIDXKKJXMIKE-CVEARBPZSA-N
XLogP1.64
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide (CID 72837802) is 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide is CC(C)[C@H]1CN(C2CCOCC2)C[C@@H]1NC(=O)c1ccc(CO)o1.
What is the InChIKey of 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is CAPIDXKKJXMIKE-CVEARBPZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12(2)15-9-20(13-5-7-23-8-6-13)10-16(15)19-18(22)17-4-3-14(11-21)24-17/h3-4,12-13,15-16,21H,5-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[(3R,4S)-1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 72837802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).