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

C25H27N3O4 — CID 55590977

IUPACN-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H27N3O4/c1-18-10-12-19(13-11-18)32-23-9-3-2-7-21(23)27-24(29)17-28-14-4-8-22(28)25(30)26-16-20-6-5-15-31-20/h2-3,5-7,9-13,15,22H,4,8,14,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyKBDKHDJIJAQIDM-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.10
Rot. Bonds8

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

N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 55590977) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID55590977
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H27N3O4/c1-18-10-12-19(13-11-18)32-23-9-3-2-7-21(23)27-24(29)17-28-14-4-8-22(28)25(30)26-16-20-6-5-15-31-20/h2-3,5-7,9-13,15,22H,4,8,14,16-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyKBDKHDJIJAQIDM-UHFFFAOYSA-N
XLogP4.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55578962
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774859
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
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-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95981801
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154838099

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 55590977) is N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)CN2CCCC2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is KBDKHDJIJAQIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-18-10-12-19(13-11-18)32-23-9-3-2-7-21(23)27-24(29)17-28-14-4-8-22(28)25(30)26-16-20-6-5-15-31-20/h2-3,5-7,9-13,15,22H,4,8,14,16-17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.10, 8 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-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55590977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).