ethane;2-methoxy-2-methyl-N-propylpropanamide

C12H29NO2 — CID 164555782

IUPACethane;2-methoxy-2-methyl-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)C(C)(C)OC
InChIInChI=1S/C8H17NO2.2C2H6/c1-5-6-9-7(10)8(2,3)11-4;2*1-2/h5-6H2,1-4H3,(H,9,10);2*1-2H3
InChIKeyQBYVZWCQPVAYEA-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.99
Rot. Bonds4

About ethane;2-methoxy-2-methyl-N-propylpropanamide

ethane;2-methoxy-2-methyl-N-propylpropanamide (PubChem CID 164555782) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;2-methoxy-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Nameethane;2-methoxy-2-methyl-N-propylpropanamide
PubChem CID164555782
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC Nameethane;2-methoxy-2-methyl-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)C(C)(C)OC
InChIInChI=1S/C8H17NO2.2C2H6/c1-5-6-9-7(10)8(2,3)11-4;2*1-2/h5-6H2,1-4H3,(H,9,10);2*1-2H3
InChIKeyQBYVZWCQPVAYEA-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-hydroxy-2-methylpropanamide
CID 71525165
2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide
CID 47030971
2-methoxy-N-(3-methylbutyl)acetamide
CID 14632091
2-methoxy-N-[1-(2-methylpropoxy)propan-2-yl]propanamide
CID 71934271
2-propoxy-N-propylpropanamide
CID 87338730
3-acetamido-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 86011575
N-(3-amino-2,2-difluoropropyl)-2-methoxy-2-methylpropanamide
CID 103021674
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxy-2-methylpropanamide
CID 103082774
2-methoxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 103528802
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 103709596
2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide
CID 103713362
N-(2,2-difluoroethyl)-2-methoxy-2-methylpropanamide
CID 103714907

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-2-methyl-N-propylpropanamide?
The IUPAC name of ethane;2-methoxy-2-methyl-N-propylpropanamide (CID 164555782) is ethane;2-methoxy-2-methyl-N-propylpropanamide.
What is the SMILES notation for ethane;2-methoxy-2-methyl-N-propylpropanamide?
The canonical SMILES for ethane;2-methoxy-2-methyl-N-propylpropanamide is CC.CC.CCCNC(=O)C(C)(C)OC.
What is the InChIKey of ethane;2-methoxy-2-methyl-N-propylpropanamide?
The InChIKey is QBYVZWCQPVAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.2C2H6/c1-5-6-9-7(10)8(2,3)11-4;2*1-2/h5-6H2,1-4H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;2-methoxy-2-methyl-N-propylpropanamide?
ethane;2-methoxy-2-methyl-N-propylpropanamide has a molecular weight of 219.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-2-methyl-N-propylpropanamide is sourced from PubChem (CID 164555782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).