bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one

C47H92N2O7 — CID 161458089

IUPACbis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)OC(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C
InChIInChI=1S/2C11H21NO.C9H18O.2C8H16O2/c2*1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-8(2,3)7(10)9(4,5)6;2*1-6(2)10-7(9)8(3,4)5/h2*9H,4-8H2,1-3H3,(H,12,13);1-6H3;2*6H,1-5H3
InChIKeyWBKSUFRZYDPAKU-UHFFFAOYSA-N
MW797.26 g/mol
LogP11.58
Rot. Bonds4

About bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one

bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one (PubChem CID 161458089) has the molecular formula C47H92N2O7 and a molecular weight of 797.26 g/mol. Its IUPAC name is bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one.

Molecular Properties

Compound Namebis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one
PubChem CID161458089
Molecular FormulaC47H92N2O7
Molecular Weight797.26 g/mol
Exact Mass796.69
IUPAC Namebis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)OC(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C
InChIInChI=1S/2C11H21NO.C9H18O.2C8H16O2/c2*1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-8(2,3)7(10)9(4,5)6;2*1-6(2)10-7(9)8(3,4)5/h2*9H,4-8H2,1-3H3,(H,12,13);1-6H3;2*6H,1-5H3
InChIKeyWBKSUFRZYDPAKU-UHFFFAOYSA-N
XLogP11.58
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.26
LogP ≤ 511.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
propan-2-yl N-cyclooctylcarbamate
CID 116653938
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108958979
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
2,2-dimethyl-N-(4-methylcycloheptyl)propanamide
CID 102795217
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350854
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
[(1R,2R)-1-cyclohexyl-2-methyl-4-oxobutyl] 2,2-dimethylpropanoate
CID 10978476
2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
CID 7412128
1-cyclohexylethyl 2-amino-2-methylpropanoate
CID 175898989
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804

Frequently Asked Questions

What is the IUPAC name of bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one?
The IUPAC name of bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one (CID 161458089) is bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one.
What is the SMILES notation for bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one?
The canonical SMILES for bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one is CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)OC(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C.
What is the InChIKey of bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one?
The InChIKey is WBKSUFRZYDPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21NO.C9H18O.2C8H16O2/c2*1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-8(2,3)7(10)9(4,5)6;2*1-6(2)10-7(9)8(3,4)5/h2*9H,4-8H2,1-3H3,(H,12,13);1-6H3;2*6H,1-5H3.
What are the key properties of bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one?
bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one has a molecular weight of 797.26 g/mol, XLogP of 11.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one is sourced from PubChem (CID 161458089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).