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

C14H20N2O4 — CID 115775397

IUPACN-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(CCO)C1)c1ccoc1
InChIInChI=1S/C14H20N2O4/c17-7-3-11-2-6-16(9-11)13(18)1-5-15-14(19)12-4-8-20-10-12/h4,8,10-11,17H,1-3,5-7,9H2,(H,15,19)
InChIKeyBBCWUKCRVPFEDQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.63
Rot. Bonds6

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

N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide (PubChem CID 115775397) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
PubChem CID115775397
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(CCO)C1)c1ccoc1
InChIInChI=1S/C14H20N2O4/c17-7-3-11-2-6-16(9-11)13(18)1-5-15-14(19)12-4-8-20-10-12/h4,8,10-11,17H,1-3,5-7,9H2,(H,15,19)
InChIKeyBBCWUKCRVPFEDQ-UHFFFAOYSA-N
XLogP0.63
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
CID 62046066
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea
CID 166389131
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide (CID 115775397) is N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide is O=C(NCCC(=O)N1CCC(CCO)C1)c1ccoc1.
What is the InChIKey of N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is BBCWUKCRVPFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-7-3-11-2-6-16(9-11)13(18)1-5-15-14(19)12-4-8-20-10-12/h4,8,10-11,17H,1-3,5-7,9H2,(H,15,19).
What are the key properties of N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide?
N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 115775397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).