N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C19H23N3O4 — CID 55578958

IUPACN-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-15-8-6-14(7-9-15)21-18(23)13-22-10-2-5-17(22)19(24)20-12-16-4-3-11-26-16/h3-4,6-9,11,17H,2,5,10,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyORSJYFAZLPPOSU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.01
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 55578958) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID55578958
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-15-8-6-14(7-9-15)21-18(23)13-22-10-2-5-17(22)19(24)20-12-16-4-3-11-26-16/h3-4,6-9,11,17H,2,5,10,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyORSJYFAZLPPOSU-UHFFFAOYSA-N
XLogP2.01
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774859
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55590977
(2R)-N-(furan-2-ylmethyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 38775053
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
(2R)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 33370303

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 55578958) is N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is ORSJYFAZLPPOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-15-8-6-14(7-9-15)21-18(23)13-22-10-2-5-17(22)19(24)20-12-16-4-3-11-26-16/h3-4,6-9,11,17H,2,5,10,12-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55578958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).