5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide

C13H19NO4 — CID 122559983

IUPAC5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(CO)o1
InChIInChI=1S/C13H19NO4/c15-7-10-3-4-11(18-10)12(17)14-8-13(9-16)5-1-2-6-13/h3-4,15-16H,1-2,5-9H2,(H,14,17)
InChIKeyFJBUDLHNOKUCJO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.05
Rot. Bonds5

About 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide

5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide (PubChem CID 122559983) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
PubChem CID122559983
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(CO)o1
InChIInChI=1S/C13H19NO4/c15-7-10-3-4-11(18-10)12(17)14-8-13(9-16)5-1-2-6-13/h3-4,15-16H,1-2,5-9H2,(H,14,17)
InChIKeyFJBUDLHNOKUCJO-UHFFFAOYSA-N
XLogP1.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164337
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-ethylfuran-2-carboxamide
CID 47031293
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
CID 113359960
5-(methoxymethyl)-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 86918294
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide (CID 122559983) is 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide is O=C(NCC1(CO)CCCC1)c1ccc(CO)o1.
What is the InChIKey of 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
The InChIKey is FJBUDLHNOKUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-7-10-3-4-11(18-10)12(17)14-8-13(9-16)5-1-2-6-13/h3-4,15-16H,1-2,5-9H2,(H,14,17).
What are the key properties of 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide?
5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 122559983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).