N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide

C15H17NO5 — CID 107847366

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1occc1-c1ccccc1
InChIInChI=1S/C15H17NO5/c17-8-15(9-18,10-19)16-14(20)13-12(6-7-21-13)11-4-2-1-3-5-11/h1-7,17-19H,8-10H2,(H,16,20)
InChIKeyGANCIUCGVPWWJO-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.39
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide (PubChem CID 107847366) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
PubChem CID107847366
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1occc1-c1ccccc1
InChIInChI=1S/C15H17NO5/c17-8-15(9-18,10-19)16-14(20)13-12(6-7-21-13)11-4-2-1-3-5-11/h1-7,17-19H,8-10H2,(H,16,20)
InChIKeyGANCIUCGVPWWJO-UHFFFAOYSA-N
XLogP0.39
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide (CID 107847366) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide is O=C(NC(CO)(CO)CO)c1occc1-c1ccccc1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide?
The InChIKey is GANCIUCGVPWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-8-15(9-18,10-19)16-14(20)13-12(6-7-21-13)11-4-2-1-3-5-11/h1-7,17-19H,8-10H2,(H,16,20).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 107847366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).