N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate

C13H27NO4 — CID 158222142

IUPACN-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
SMILESCC(C)C(=O)NCCO.CCCOC(=O)C(C)C
InChIInChI=1S/C7H14O2.C6H13NO2/c1-4-5-9-7(8)6(2)3;1-5(2)6(9)7-3-4-8/h6H,4-5H2,1-3H3;5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyGDJDOYDCQZIYFF-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.35
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate

N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate (PubChem CID 158222142) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
PubChem CID158222142
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC NameN-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
SMILESCC(C)C(=O)NCCO.CCCOC(=O)C(C)C
InChIInChI=1S/C7H14O2.C6H13NO2/c1-4-5-9-7(8)6(2)3;1-5(2)6(9)7-3-4-8/h6H,4-5H2,1-3H3;5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyGDJDOYDCQZIYFF-UHFFFAOYSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
CID 130305252
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
ethyl 2-methylpropanoate;2-methylpropanehydrazide
CID 159155209
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate?
The IUPAC name of N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate (CID 158222142) is N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate is CC(C)C(=O)NCCO.CCCOC(=O)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate?
The InChIKey is GDJDOYDCQZIYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C6H13NO2/c1-4-5-9-7(8)6(2)3;1-5(2)6(9)7-3-4-8/h6H,4-5H2,1-3H3;5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate?
N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate has a molecular weight of 261.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate is sourced from PubChem (CID 158222142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).