N-(3-methylbutyl)-2-oxopropanamide

C8H15NO2 — CID 20608727

IUPACN-(3-methylbutyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeySFEJYMAELZZCLR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds4

About N-(3-methylbutyl)-2-oxopropanamide

N-(3-methylbutyl)-2-oxopropanamide (PubChem CID 20608727) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-oxopropanamide
PubChem CID20608727
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(3-methylbutyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeySFEJYMAELZZCLR-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-oxopropanamide?
The IUPAC name of N-(3-methylbutyl)-2-oxopropanamide (CID 20608727) is N-(3-methylbutyl)-2-oxopropanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-oxopropanamide?
The canonical SMILES for N-(3-methylbutyl)-2-oxopropanamide is CC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-oxopropanamide?
The InChIKey is SFEJYMAELZZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(3-methylbutyl)-2-oxopropanamide?
N-(3-methylbutyl)-2-oxopropanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-oxopropanamide is sourced from PubChem (CID 20608727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).