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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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-methyl-N-(2-methylpropyl)-2-oxopropanamide
CID 115175418
4-[bis(2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991347
N-(3-bromo-2-oxopropyl)-N-(2-methylpropyl)acetamide
CID 104701294
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
ethane;N-(2-hydroxyethyl)-N-(2-methylpropyl)acetamide
CID 177048994
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
CID 54407553
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826

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).