N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide

C17H18N2O4 — CID 90651689

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C17H18N2O4/c20-15-7-4-11-19(15)12-10-18-17(21)14-8-9-16(23-14)22-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2,(H,18,21)
InChIKeyYAWRGMSMSJMKIX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.42
Rot. Bonds6

About N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide (PubChem CID 90651689) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
PubChem CID90651689
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C17H18N2O4/c20-15-7-4-11-19(15)12-10-18-17(21)14-8-9-16(23-14)22-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2,(H,18,21)
InChIKeyYAWRGMSMSJMKIX-UHFFFAOYSA-N
XLogP2.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide (CID 90651689) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide is O=C(NCCN1CCCC1=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The InChIKey is YAWRGMSMSJMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-7-4-11-19(15)12-10-18-17(21)14-8-9-16(23-14)22-13-5-2-1-3-6-13/h1-3,5-6,8-9H,4,7,10-12H2,(H,18,21).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 90651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).