N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C14H19NO2 — CID 113376584

IUPACN-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(O)CC(C)NC(=O)C1Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-9(7-10(2)16)15-14(17)13-8-11-5-3-4-6-12(11)13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyNFMCCMQLLDONHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 113376584) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID113376584
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(O)CC(C)NC(=O)C1Cc2ccccc21
InChIInChI=1S/C14H19NO2/c1-9(7-10(2)16)15-14(17)13-8-11-5-3-4-6-12(11)13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyNFMCCMQLLDONHQ-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)pentanoic acid
CID 66394930
N-[(2R)-2-hydroxypropyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83032513
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113376574
N-(1-chloro-4-methylpentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113272455
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
(2S)-2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-3-methylpentanoic acid
CID 66396477
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-[2-(2-hydroxypropylamino)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104593752
N-(1-bromo-4-methylpentan-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114177782
N-(2-chloropropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114296152
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 113376584) is N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CC(O)CC(C)NC(=O)C1Cc2ccccc21.
What is the InChIKey of N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is NFMCCMQLLDONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(7-10(2)16)15-14(17)13-8-11-5-3-4-6-12(11)13/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 113376584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).