N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide

C13H21NO3 — CID 129345421

IUPACN-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
SMILESCC1(C)[C@H](O)C[C@H]1NC(=O)C1CCC(=O)CC1
InChIInChI=1S/C13H21NO3/c1-13(2)10(7-11(13)16)14-12(17)8-3-5-9(15)6-4-8/h8,10-11,16H,3-7H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyIGGMWNPBKMCCKI-GHMZBOCLSA-N
MW239.31 g/mol
LogP1.02
Rot. Bonds2

About N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide

N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 129345421) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
PubChem CID129345421
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
SMILESCC1(C)[C@H](O)C[C@H]1NC(=O)C1CCC(=O)CC1
InChIInChI=1S/C13H21NO3/c1-13(2)10(7-11(13)16)14-12(17)8-3-5-9(15)6-4-8/h8,10-11,16H,3-7H2,1-2H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyIGGMWNPBKMCCKI-GHMZBOCLSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclopent-3-ene-1-carboxamide
CID 114630540
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
N-(3-hydroxy-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114631386
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 112531105
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114630465
4-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)piperidine-2-carboxamide
CID 114629713
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide (CID 129345421) is N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide is CC1(C)[C@H](O)C[C@H]1NC(=O)C1CCC(=O)CC1.
What is the InChIKey of N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is IGGMWNPBKMCCKI-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2)10(7-11(13)16)14-12(17)8-3-5-9(15)6-4-8/h8,10-11,16H,3-7H2,1-2H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide?
N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 129345421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).