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

C10H15NO5 — CID 107845649

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)(CO)CO)co1
InChIInChI=1S/C10H15NO5/c1-7-2-8(3-16-7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyZWMBFRZKBBPMIN-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.97
Rot. Bonds5

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide (PubChem CID 107845649) 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-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
PubChem CID107845649
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)(CO)CO)co1
InChIInChI=1S/C10H15NO5/c1-7-2-8(3-16-7)9(15)11-10(4-12,5-13)6-14/h2-3,12-14H,4-6H2,1H3,(H,11,15)
InChIKeyZWMBFRZKBBPMIN-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

1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 107847342
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
CID 107845274
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide (CID 107845649) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(CO)(CO)CO)co1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide?
The InChIKey is ZWMBFRZKBBPMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7-2-8(3-16-7)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-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-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-3-carboxamide is sourced from PubChem (CID 107845649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).