N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C18H17N3O4 — CID 71935882

IUPACN-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESN#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCC1
InChIInChI=1S/C18H17N3O4/c19-12-18(7-3-8-18)21-16(22)11-25-14-5-1-4-13(10-14)20-17(23)15-6-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H,20,23)(H,21,22)
InChIKeyRFSZTTUGKCISAO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.47
Rot. Bonds6

About N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 71935882) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID71935882
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESN#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCC1
InChIInChI=1S/C18H17N3O4/c19-12-18(7-3-8-18)21-16(22)11-25-14-5-1-4-13(10-14)20-17(23)15-6-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H,20,23)(H,21,22)
InChIKeyRFSZTTUGKCISAO-UHFFFAOYSA-N
XLogP2.47
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
CID 106485018
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
CID 18206151
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 71935882) is N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is N#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCC1.
What is the InChIKey of N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is RFSZTTUGKCISAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-12-18(7-3-8-18)21-16(22)11-25-14-5-1-4-13(10-14)20-17(23)15-6-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 71935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).