methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide

C14H33NO2 — CID 159729828

IUPACmethane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
SMILESC.C.CC(=O)C(C)C.CCCNC(=O)C(C)C
InChIInChI=1S/C7H15NO.C5H10O.2CH4/c1-4-5-8-7(9)6(2)3;1-4(2)5(3)6;;/h6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3;2*1H4
InChIKeyNBCFKYMDIYAIJO-UHFFFAOYSA-N
MW247.42 g/mol
LogP3.67
Rot. Bonds4

About methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide

methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide (PubChem CID 159729828) has the molecular formula C14H33NO2 and a molecular weight of 247.42 g/mol. Its IUPAC name is methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide.

Molecular Properties

Compound Namemethane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
PubChem CID159729828
Molecular FormulaC14H33NO2
Molecular Weight247.42 g/mol
Exact Mass247.25
IUPAC Namemethane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
SMILESC.C.CC(=O)C(C)C.CCCNC(=O)C(C)C
InChIInChI=1S/C7H15NO.C5H10O.2CH4/c1-4-5-8-7(9)6(2)3;1-4(2)5(3)6;;/h6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3;2*1H4
InChIKeyNBCFKYMDIYAIJO-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-iodo-N-propylpropanamide
CID 64787589
tetrakis(N-ethyl-2-methylpropanamide);methane;tris(2-methyl-N-(3-oxobutyl)propanamide);2-methyl-N-(3-oxohexyl)propanamide;2-methyl-N-(3-oxopentyl)propanamide;2-methyl-N-propylpropanamide
CID 159901542
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-amino-N-propylpropanamide;ethane
CID 142837247
N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
CID 159998145
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
CID 103706063

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide?
The IUPAC name of methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide (CID 159729828) is methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide.
What is the SMILES notation for methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide?
The canonical SMILES for methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide is C.C.CC(=O)C(C)C.CCCNC(=O)C(C)C.
What is the InChIKey of methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide?
The InChIKey is NBCFKYMDIYAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C5H10O.2CH4/c1-4-5-8-7(9)6(2)3;1-4(2)5(3)6;;/h6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3;2*1H4.
What are the key properties of methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide?
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide has a molecular weight of 247.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide is sourced from PubChem (CID 159729828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).