N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide

C10H15NO5 — CID 107845274

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CO)(CO)CO)o1
InChIInChI=1S/C10H15NO5/c1-7-2-3-8(16-7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyOTUWNAPFEBQLGE-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.97
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 107845274) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
PubChem CID107845274
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(CO)(CO)CO)o1
InChIInChI=1S/C10H15NO5/c1-7-2-3-8(16-7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyOTUWNAPFEBQLGE-UHFFFAOYSA-N
XLogP-0.97
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
CID 107867537
N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
CID 104857131
tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate
CID 166386285
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide (CID 107845274) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC(CO)(CO)CO)o1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is OTUWNAPFEBQLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7-2-3-8(16-7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 229.23 g/mol, XLogP of -0.97, 5 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]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 107845274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).