N-ethoxy-2-methylpropanamide

C6H13NO2 — CID 60717901

IUPACN-ethoxy-2-methylpropanamide
SMILESCCONC(=O)C(C)C
InChIInChI=1S/C6H13NO2/c1-4-9-7-6(8)5(2)3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyFJRPJTNROQXADK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.71
Rot. Bonds3

About N-ethoxy-2-methylpropanamide

N-ethoxy-2-methylpropanamide (PubChem CID 60717901) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-ethoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-ethoxy-2-methylpropanamide
PubChem CID60717901
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-ethoxy-2-methylpropanamide
SMILESCCONC(=O)C(C)C
InChIInChI=1S/C6H13NO2/c1-4-9-7-6(8)5(2)3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyFJRPJTNROQXADK-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-methylbut-3-enamide
CID 143446399
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
N-ethoxy-2-propylpentanamide
CID 115532275
2-amino-N-ethoxypentanamide
CID 64974803
(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
CID 64974712
3-amino-4-(ethoxyamino)-4-oxobutanoic acid
CID 64974788
N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
CID 130438480
N-ethoxy-2-oxoacetamide
CID 19818586
ethyl 2-methylpropanoate;2-methylpropanehydrazide
CID 159155209

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylpropanamide?
The IUPAC name of N-ethoxy-2-methylpropanamide (CID 60717901) is N-ethoxy-2-methylpropanamide.
What is the SMILES notation for N-ethoxy-2-methylpropanamide?
The canonical SMILES for N-ethoxy-2-methylpropanamide is CCONC(=O)C(C)C.
What is the InChIKey of N-ethoxy-2-methylpropanamide?
The InChIKey is FJRPJTNROQXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-9-7-6(8)5(2)3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of N-ethoxy-2-methylpropanamide?
N-ethoxy-2-methylpropanamide has a molecular weight of 131.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylpropanamide is sourced from PubChem (CID 60717901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).