2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane

C12H27NO2 — CID 169251481

IUPAC2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
SMILESC1CCOC1.CC(C)CNC(=O)C(C)C.[H][H]
InChIInChI=1S/C8H17NO.C4H8O.H2/c1-6(2)5-9-8(10)7(3)4;1-2-4-5-3-1;/h6-7H,5H2,1-4H3,(H,9,10);1-4H2;1H
InChIKeyJBGJVZMOIBSDQJ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane

2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane (PubChem CID 169251481) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
PubChem CID169251481
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
SMILESC1CCOC1.CC(C)CNC(=O)C(C)C.[H][H]
InChIInChI=1S/C8H17NO.C4H8O.H2/c1-6(2)5-9-8(10)7(3)4;1-2-4-5-3-1;/h6-7H,5H2,1-4H3,(H,9,10);1-4H2;1H
InChIKeyJBGJVZMOIBSDQJ-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxyethyl)-2,2-dimethylpropanamide
CID 71723059
N-(3-ethoxy-2-fluoropropyl)-2-methylpropanamide
CID 167191755
3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide
CID 169194005
N-(1-ethoxy-2-methylpropyl)propanamide
CID 134949251
2-fluoro-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 130165097
N-(2-fluoro-3-methoxypropyl)-2-methylpropanamide
CID 168259013
N-(3-methoxypropyl)-2-methylpropanamide
CID 3483925
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(1-methoxybutyl)propanamide
CID 13570116
N-[1-(3-methylbutoxy)ethyl]acetamide
CID 15099868
2-methyl-N-(oxolan-3-yl)propanamide
CID 20635096
3-methoxy-N-(2-methylpropyl)propanamide
CID 20735604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane?
The IUPAC name of 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane (CID 169251481) is 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane is C1CCOC1.CC(C)CNC(=O)C(C)C.[H][H].
What is the InChIKey of 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane?
The InChIKey is JBGJVZMOIBSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C4H8O.H2/c1-6(2)5-9-8(10)7(3)4;1-2-4-5-3-1;/h6-7H,5H2,1-4H3,(H,9,10);1-4H2;1H.
What are the key properties of 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane?
2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane has a molecular weight of 217.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane is sourced from PubChem (CID 169251481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).