N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide

C12H25NO2 — CID 176640093

IUPACN-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide
SMILESCCCCC(O)CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-8-10(14)9-13(5)11(15)12(2,3)4/h10,14H,6-9H2,1-5H3
InChIKeyVEQQTYZSDMDMKR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds5

About N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide

N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide (PubChem CID 176640093) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide
PubChem CID176640093
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide
SMILESCCCCC(O)CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-8-10(14)9-13(5)11(15)12(2,3)4/h10,14H,6-9H2,1-5H3
InChIKeyVEQQTYZSDMDMKR-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxyheptyl(methyl)carbamic acid
CID 87975843
acetic acid;nonan-5-ol
CID 53445479
1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623
N-(2-butoxyethyl)-N,2,2-trimethylpropanamide
CID 88916539
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
CID 172776718
CID 172776718
5-hydroxy-2,2-dimethyltetradecan-3-one
CID 24806529
2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
CID 115920256
2,2-bis(4-hydroxyoctyl)propanedioic acid
CID 146624626
(5R,7S)-undecane-5,7-diol
CID 10899409
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
2-[[methyl(2-methylprop-2-enoyl)amino]methyl]hexanoic acid
CID 91186254

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide (CID 176640093) is N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide is CCCCC(O)CN(C)C(=O)C(C)(C)C.
What is the InChIKey of N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide?
The InChIKey is VEQQTYZSDMDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-8-10(14)9-13(5)11(15)12(2,3)4/h10,14H,6-9H2,1-5H3.
What are the key properties of N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide?
N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 176640093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).