N,N-bis(2-methylpropyl)-2-oxopropanamide

C11H21NO2 — CID 10910517

IUPACN,N-bis(2-methylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-12(7-9(3)4)11(14)10(5)13/h8-9H,6-7H2,1-5H3
InChIKeyARUISPMLZHKKPM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About N,N-bis(2-methylpropyl)-2-oxopropanamide

N,N-bis(2-methylpropyl)-2-oxopropanamide (PubChem CID 10910517) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-oxopropanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-oxopropanamide
PubChem CID10910517
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,N-bis(2-methylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)6-12(7-9(3)4)11(14)10(5)13/h8-9H,6-7H2,1-5H3
InChIKeyARUISPMLZHKKPM-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
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,N-bis(2-methylpropyl)-2-oxopropanamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-oxopropanamide (CID 10910517) is N,N-bis(2-methylpropyl)-2-oxopropanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-oxopropanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-oxopropanamide is CC(=O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-oxopropanamide?
The InChIKey is ARUISPMLZHKKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)6-12(7-9(3)4)11(14)10(5)13/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-oxopropanamide?
N,N-bis(2-methylpropyl)-2-oxopropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-oxopropanamide is sourced from PubChem (CID 10910517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).