4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C14H22N2O4 — CID 123334704

IUPAC4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCO)C1CCC(Cn2c(O)ccc2O)CC1
InChIInChI=1S/C14H22N2O4/c17-8-7-15-14(20)11-3-1-10(2-4-11)9-16-12(18)5-6-13(16)19/h5-6,10-11,17-19H,1-4,7-9H2,(H,15,20)
InChIKeyHHELABYMVKZOPG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.81
Rot. Bonds5

About 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 123334704) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID123334704
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCO)C1CCC(Cn2c(O)ccc2O)CC1
InChIInChI=1S/C14H22N2O4/c17-8-7-15-14(20)11-3-1-10(2-4-11)9-16-12(18)5-6-13(16)19/h5-6,10-11,17-19H,1-4,7-9H2,(H,15,20)
InChIKeyHHELABYMVKZOPG-UHFFFAOYSA-N
XLogP0.81
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 123334704) is 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is O=C(NCCO)C1CCC(Cn2c(O)ccc2O)CC1.
What is the InChIKey of 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is HHELABYMVKZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-8-7-15-14(20)11-3-1-10(2-4-11)9-16-12(18)5-6-13(16)19/h5-6,10-11,17-19H,1-4,7-9H2,(H,15,20).
What are the key properties of 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 123334704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).