N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide

C12H13NO4 — CID 71689736

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide
SMILESO=C(NCCC(O)c1ccco1)c1ccco1
InChIInChI=1S/C12H13NO4/c14-9(10-3-1-7-16-10)5-6-13-12(15)11-4-2-8-17-11/h1-4,7-9,14H,5-6H2,(H,13,15)
InChIKeyUVUNKDPYMQKHLX-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.73
Rot. Bonds5

About N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide

N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide (PubChem CID 71689736) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide
PubChem CID71689736
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide
SMILESO=C(NCCC(O)c1ccco1)c1ccco1
InChIInChI=1S/C12H13NO4/c14-9(10-3-1-7-16-10)5-6-13-12(15)11-4-2-8-17-11/h1-4,7-9,14H,5-6H2,(H,13,15)
InChIKeyUVUNKDPYMQKHLX-UHFFFAOYSA-N
XLogP1.73
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide (CID 71689736) is N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide is O=C(NCCC(O)c1ccco1)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide?
The InChIKey is UVUNKDPYMQKHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-9(10-3-1-7-16-10)5-6-13-12(15)11-4-2-8-17-11/h1-4,7-9,14H,5-6H2,(H,13,15).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 71689736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).