N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C14H20N2O4 — CID 115775311

IUPACN-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H20N2O4/c1-10(15-13(18)12-3-2-8-20-12)14(19)16-6-4-11(9-16)5-7-17/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDSFDSNKVOHFKOI-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.63
Rot. Bonds5

About N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 115775311) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID115775311
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H20N2O4/c1-10(15-13(18)12-3-2-8-20-12)14(19)16-6-4-11(9-16)5-7-17/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDSFDSNKVOHFKOI-UHFFFAOYSA-N
XLogP0.63
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 119398584
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 134045047
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575600
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 115775311) is N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)N1CCC(CCO)C1.
What is the InChIKey of N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is DSFDSNKVOHFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(15-13(18)12-3-2-8-20-12)14(19)16-6-4-11(9-16)5-7-17/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,15,18).
What are the key properties of N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 115775311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).