N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen

C8H17NO2 — CID 143718494

IUPACN-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen
SMILESCCC(C)C(=O)CNC(C)=O.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-4-6(2)8(11)5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyIBTAYUJQVKFPAZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.98
Rot. Bonds4

About N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen

N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen (PubChem CID 143718494) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen
PubChem CID143718494
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen
SMILESCCC(C)C(=O)CNC(C)=O.[H][H]
InChIInChI=1S/C8H15NO2.H2/c1-4-6(2)8(11)5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyIBTAYUJQVKFPAZ-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methylheptane-2,4-dione
CID 59270261
acetamidomethyl 2-methylbutanoate
CID 134215885
N-acetyl-2-methylbutanamide
CID 59565834
methane;methyl N-(3-methyl-2-oxobutyl)carbamate;N-(3-methyl-2-oxobutyl)acetamide
CID 162245001
4-methyl-3-oxohexanamide
CID 91421150
5-methyl-4-oxoheptanoic acid
CID 21365481
N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
CID 144886744
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2,5-dimethylheptan-4-one
CID 12580686
ethane;N-ethyl-2-methylbutanamide
CID 145471862
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
5-(2-methylbutanoylamino)-4-oxopentanoic acid
CID 59623900

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen?
The IUPAC name of N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen (CID 143718494) is N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen.
What is the SMILES notation for N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen?
The canonical SMILES for N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen is CCC(C)C(=O)CNC(C)=O.[H][H].
What is the InChIKey of N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen?
The InChIKey is IBTAYUJQVKFPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.H2/c1-4-6(2)8(11)5-9-7(3)10;/h6H,4-5H2,1-3H3,(H,9,10);1H.
What are the key properties of N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen?
N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen has a molecular weight of 159.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxopentyl)acetamide;molecular hydrogen is sourced from PubChem (CID 143718494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).