N-(2-methylbutan-2-yl)-2-oxopropanamide

C8H15NO2 — CID 23336246

IUPACN-(2-methylbutan-2-yl)-2-oxopropanamide
SMILESCCC(C)(C)NC(=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-8(3,4)9-7(11)6(2)10/h5H2,1-4H3,(H,9,11)
InChIKeyZMRHSLCGPCZLRU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.88
Rot. Bonds3

About N-(2-methylbutan-2-yl)-2-oxopropanamide

N-(2-methylbutan-2-yl)-2-oxopropanamide (PubChem CID 23336246) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-oxopropanamide
PubChem CID23336246
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-methylbutan-2-yl)-2-oxopropanamide
SMILESCCC(C)(C)NC(=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-8(3,4)9-7(11)6(2)10/h5H2,1-4H3,(H,9,11)
InChIKeyZMRHSLCGPCZLRU-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobut-2-enoic acid
CID 76991668
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
2-hydroxy-N-(2-methylbutan-2-yl)acetamide
CID 43558880
3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
(Z)-2,3-dimethyl-4-(2-methylbutan-2-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 55170034
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 155260719
3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
CID 88972316
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
4-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 79204830
2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
CID 65297658

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-oxopropanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-oxopropanamide (CID 23336246) is N-(2-methylbutan-2-yl)-2-oxopropanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-oxopropanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-oxopropanamide is CCC(C)(C)NC(=O)C(C)=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-oxopropanamide?
The InChIKey is ZMRHSLCGPCZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(3,4)9-7(11)6(2)10/h5H2,1-4H3,(H,9,11).
What are the key properties of N-(2-methylbutan-2-yl)-2-oxopropanamide?
N-(2-methylbutan-2-yl)-2-oxopropanamide has a molecular weight of 157.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-oxopropanamide is sourced from PubChem (CID 23336246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).