(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium

C13H15N2O2+ — CID 7131564

IUPAC(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h1-8,14H,9-10H2,(H,15,16)/p+1
InChIKeyNSQBJDBKAYSFTP-UHFFFAOYSA-O
MW231.28 g/mol
LogP0.98
Rot. Bonds5

About (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium

(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium (PubChem CID 7131564) has the molecular formula C13H15N2O2+ and a molecular weight of 231.28 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
PubChem CID7131564
Molecular FormulaC13H15N2O2+
Molecular Weight231.28 g/mol
Exact Mass231.11
IUPAC Name(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h1-8,14H,9-10H2,(H,15,16)/p+1
InChIKeyNSQBJDBKAYSFTP-UHFFFAOYSA-O
XLogP0.98
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
3-(furan-2-yl)-3-hydroxy-N-phenylpropanamide
CID 78165450
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
furan-2-ylmethyl-[2-[3-methoxy-4-(tetrazol-1-yl)anilino]-2-oxoethyl]azanium
CID 7437156
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 2239728
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium?
The IUPAC name of (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium (CID 7131564) is (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium is O=C(C[NH2+]Cc1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium?
The InChIKey is NSQBJDBKAYSFTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14N2O2/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h1-8,14H,9-10H2,(H,15,16)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium?
(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium has a molecular weight of 231.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7131564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).