N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide

C47H86N4O8 — CID 159611248

IUPACN-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCCCC(=O)NC(=O)C(C)(C)CC
InChIInChI=1S/C13H23NO2.C12H21NO2.2C11H21NO2/c1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeyMMSHSQYBSRVHLC-UHFFFAOYSA-N
MW835.22 g/mol
LogP9.27
Rot. Bonds13

About N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide

N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide (PubChem CID 159611248) has the molecular formula C47H86N4O8 and a molecular weight of 835.22 g/mol. Its IUPAC name is N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide
PubChem CID159611248
Molecular FormulaC47H86N4O8
Molecular Weight835.22 g/mol
Exact Mass834.64
IUPAC NameN-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCCCC(=O)NC(=O)C(C)(C)CC
InChIInChI=1S/C13H23NO2.C12H21NO2.2C11H21NO2/c1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14)
InChIKeyMMSHSQYBSRVHLC-UHFFFAOYSA-N
XLogP9.27
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.22
LogP ≤ 59.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide with MolForge

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Related Compounds

N-(2,2-dimethylpropanoyl)cyclobutanecarboxamide
CID 23273706
N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
CID 4925619
(3R)-N-pentanoylpiperidine-3-carboxamide
CID 174696640
N-[(butanoylamino)carbamothioyl]cyclohexanecarboxamide
CID 17340126
N-(cyclohexylcarbamothioyl)octanamide
CID 4958923
1-cycloheptylpentan-1-one
CID 65399298
N-butanoylcyclopropanecarboxamide
CID 89311157
N-[(E)-pentylideneamino]cyclohexanecarboxamide
CID 171400506
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide (CID 159611248) is N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(=O)C(C)(C)C.CCC(C)(C)C(=O)NC(=O)C1CCCC1.CCC(C)(C)C(=O)NC(=O)C1CCCCC1.CCCCC(=O)NC(=O)C(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide?
The InChIKey is MMSHSQYBSRVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C12H21NO2.2C11H21NO2/c1-4-13(2,3)12(16)14-11(15)10-8-6-5-7-9-10;1-4-12(2,3)11(15)13-10(14)9-7-5-6-8-9;1-7-11(5,6)9(14)12-8(13)10(2,3)4;1-5-7-8-9(13)12-10(14)11(3,4)6-2/h10H,4-9H2,1-3H3,(H,14,15,16);9H,4-8H2,1-3H3,(H,13,14,15);7H2,1-6H3,(H,12,13,14);5-8H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide?
N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide has a molecular weight of 835.22 g/mol, XLogP of 9.27, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutanoyl)cyclohexanecarboxamide;N-(2,2-dimethylbutanoyl)cyclopentanecarboxamide;2,2-dimethyl-N-pentanoylbutanamide;N-(2,2-dimethylpropanoyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 159611248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).