N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide

C16H18N2O3 — CID 120944262

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1occc1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-10-17-8-12(14)9-18-16(20)15-13(6-7-21-15)11-4-2-1-3-5-11/h1-7,12,14,17,19H,8-10H2,(H,18,20)
InChIKeyBWGZEVNRHAJGKT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.26
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide (PubChem CID 120944262) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
PubChem CID120944262
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1occc1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-10-17-8-12(14)9-18-16(20)15-13(6-7-21-15)11-4-2-1-3-5-11/h1-7,12,14,17,19H,8-10H2,(H,18,20)
InChIKeyBWGZEVNRHAJGKT-UHFFFAOYSA-N
XLogP1.26
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide (CID 120944262) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide is O=C(NCC1CNCC1O)c1occc1-c1ccccc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide?
The InChIKey is BWGZEVNRHAJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-10-17-8-12(14)9-18-16(20)15-13(6-7-21-15)11-4-2-1-3-5-11/h1-7,12,14,17,19H,8-10H2,(H,18,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 120944262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).