5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide

C15H24N2O3 — CID 91776487

IUPAC5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CC2(CO)CCOCC2)[nH]1
InChIInChI=1S/C15H24N2O3/c1-3-12-4-5-13(16-12)14(19)17(2)10-15(11-18)6-8-20-9-7-15/h4-5,16,18H,3,6-11H2,1-2H3
InChIKeyFPXLPSUTQJWDCD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds5

About 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide

5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 91776487) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID91776487
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CC2(CO)CCOCC2)[nH]1
InChIInChI=1S/C15H24N2O3/c1-3-12-4-5-13(16-12)14(19)17(2)10-15(11-18)6-8-20-9-7-15/h4-5,16,18H,3,6-11H2,1-2H3
InChIKeyFPXLPSUTQJWDCD-UHFFFAOYSA-N
XLogP1.44
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 91776487) is 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)N(C)CC2(CO)CCOCC2)[nH]1.
What is the InChIKey of 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is FPXLPSUTQJWDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12-4-5-13(16-12)14(19)17(2)10-15(11-18)6-8-20-9-7-15/h4-5,16,18H,3,6-11H2,1-2H3.
What are the key properties of 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91776487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).