N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide

C16H19N3O2 — CID 66212891

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H19N3O2/c17-12-10-5-2-8-21-15(10)14(12)19-16(20)11-4-1-3-9-6-7-18-13(9)11/h1,3-4,6-7,10,12,14-15,18H,2,5,8,17H2,(H,19,20)
InChIKeyGBAOGUXEDFGQIX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.40
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide (PubChem CID 66212891) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
PubChem CID66212891
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H19N3O2/c17-12-10-5-2-8-21-15(10)14(12)19-16(20)11-4-1-3-9-6-7-18-13(9)11/h1,3-4,6-7,10,12,14-15,18H,2,5,8,17H2,(H,19,20)
InChIKeyGBAOGUXEDFGQIX-UHFFFAOYSA-N
XLogP1.40
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-chloro-2-methylbenzamide
CID 107098242
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-[(1R,2R)-2-aminocyclohexyl]-1H-indole-7-carboxamide
CID 102724878
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-ethoxybenzamide
CID 66211142
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
CID 66194802
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
CID 66212704
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
CID 66194783

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide (CID 66212891) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide is NC1C2CCCOC2C1NC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide?
The InChIKey is GBAOGUXEDFGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-10-5-2-8-21-15(10)14(12)19-16(20)11-4-1-3-9-6-7-18-13(9)11/h1,3-4,6-7,10,12,14-15,18H,2,5,8,17H2,(H,19,20).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66212891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).