N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H21NO — CID 115648847

IUPACN-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCC(CC)CNC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-11(4-2)10-16-15(17)14-9-12-7-5-6-8-13(12)14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyQFTWLPWKJICCHJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.88
Rot. Bonds5

About N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 115648847) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID115648847
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCC(CC)CNC(=O)C1Cc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-11(4-2)10-16-15(17)14-9-12-7-5-6-8-13(12)14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyQFTWLPWKJICCHJ-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloropropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114296152
N-[(2R)-2-hydroxypropyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83032513
N-(2,2-dimethoxyethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395346
N-(2-amino-3-methylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397119
N-(3-amino-2-methylpropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395688
N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 107156553
N-[2-(2-hydroxypropylamino)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104593752
2-[(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)methyl]-2-ethylbutanoic acid
CID 115429431
N-(3-chlorobutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114301657
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-(2-hydroxy-2-methylpentyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113246017

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 115648847) is N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CCC(CC)CNC(=O)C1Cc2ccccc21.
What is the InChIKey of N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is QFTWLPWKJICCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11(4-2)10-16-15(17)14-9-12-7-5-6-8-13(12)14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 115648847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).