N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate

C15H31NO4 — CID 91206663

IUPACN,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate
SMILESCC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C(C)C
InChIInChI=1S/C5H11NO.C5H10O2.C5H10O/c1-4(2)5(7)6-3;1-4(2)5(6)7-3;1-4(2)5(3)6/h4H,1-3H3,(H,6,7);4H,1-3H3;4H,1-3H3
InChIKeyXTOKHVCEICKVKF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.44
Rot. Bonds3

About N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate

N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate (PubChem CID 91206663) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate.

Molecular Properties

Compound NameN,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate
PubChem CID91206663
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC NameN,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate
SMILESCC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C(C)C
InChIInChI=1S/C5H11NO.C5H10O2.C5H10O/c1-4(2)5(7)6-3;1-4(2)5(6)7-3;1-4(2)5(3)6/h4H,1-3H3,(H,6,7);4H,1-3H3;4H,1-3H3
InChIKeyXTOKHVCEICKVKF-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
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N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
acetic acid;2-amino-N-methylpropanamide
CID 71335706
methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464916
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
ethyl 2-methylpropanoate;methyl 2-methylpropanoate;2-methylpropanoic acid
CID 157438192
methyl (2S)-2-amino-3-oxobutanoate
CID 20728075
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
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lithium;hydride;3-methylbutan-2-one
CID 173095274

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate?
The IUPAC name of N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate (CID 91206663) is N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate.
What is the SMILES notation for N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate?
The canonical SMILES for N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate is CC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C(C)C.
What is the InChIKey of N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate?
The InChIKey is XTOKHVCEICKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C5H10O2.C5H10O/c1-4(2)5(7)6-3;1-4(2)5(6)7-3;1-4(2)5(3)6/h4H,1-3H3,(H,6,7);4H,1-3H3;4H,1-3H3.
What are the key properties of N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate?
N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate has a molecular weight of 289.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanamide;3-methylbutan-2-one;methyl 2-methylpropanoate is sourced from PubChem (CID 91206663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).