N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

C14H25NO2 — CID 103945589

IUPACN-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C14H25NO2/c1-3-14(2,8-9-16)15-13(17)12-10-6-4-5-7-11(10)12/h10-12,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyJXPUFWURBQDATM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.09
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 103945589) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID103945589
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C14H25NO2/c1-3-14(2,8-9-16)15-13(17)12-10-6-4-5-7-11(10)12/h10-12,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyJXPUFWURBQDATM-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 106176083
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106168956

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 103945589) is N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide is CCC(C)(CCO)NC(=O)C1C2CCCCC21.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is JXPUFWURBQDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-14(2,8-9-16)15-13(17)12-10-6-4-5-7-11(10)12/h10-12,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 103945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).