N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide

C14H19N3O3 — CID 91948672

IUPACN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NC1CN2CCC1CC2
InChIInChI=1S/C14H19N3O3/c18-13(8-15-14(19)12-2-1-7-20-12)16-11-9-17-5-3-10(11)4-6-17/h1-2,7,10-11H,3-6,8-9H2,(H,15,19)(H,16,18)
InChIKeyFFFTWQODZXHYCH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.22
Rot. Bonds4

About N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide

N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 91948672) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID91948672
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NC1CN2CCC1CC2
InChIInChI=1S/C14H19N3O3/c18-13(8-15-14(19)12-2-1-7-20-12)16-11-9-17-5-3-10(11)4-6-17/h1-2,7,10-11H,3-6,8-9H2,(H,15,19)(H,16,18)
InChIKeyFFFTWQODZXHYCH-UHFFFAOYSA-N
XLogP0.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 124785873
N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]furan-2-carboxamide
CID 55211401
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
CID 16794770
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 103280341
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide
CID 8009009

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide (CID 91948672) is N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NC1CN2CCC1CC2.
What is the InChIKey of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FFFTWQODZXHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(8-15-14(19)12-2-1-7-20-12)16-11-9-17-5-3-10(11)4-6-17/h1-2,7,10-11H,3-6,8-9H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 91948672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).