N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

C15H20N2O3 — CID 71985014

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccn2C)c(C)o1
InChIInChI=1S/C15H20N2O3/c1-10-8-12(11(2)20-10)15(3,19)9-16-14(18)13-6-5-7-17(13)4/h5-8,19H,9H2,1-4H3,(H,16,18)
InChIKeyXWRMYXJYLKBYJT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71985014) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
PubChem CID71985014
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccn2C)c(C)o1
InChIInChI=1S/C15H20N2O3/c1-10-8-12(11(2)20-10)15(3,19)9-16-14(18)13-6-5-7-17(13)4/h5-8,19H,9H2,1-4H3,(H,16,18)
InChIKeyXWRMYXJYLKBYJT-UHFFFAOYSA-N
XLogP1.87
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 111912031
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
CID 111479009
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (CID 71985014) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2cccn2C)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XWRMYXJYLKBYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-12(11(2)20-10)15(3,19)9-16-14(18)13-6-5-7-17(13)4/h5-8,19H,9H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71985014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).