N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide

C10H18N2O2 — CID 90936345

IUPACN-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide
SMILES[H]/N=C/C(C(C)=O)N(CC)C(=O)C(C)C
InChIInChI=1S/C10H18N2O2/c1-5-12(10(14)7(2)3)9(6-11)8(4)13/h6-7,9,11H,5H2,1-4H3/b11-6+
InChIKeyRQVFVOPCAKLNAR-IZZDOVSWSA-N
MW198.27 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide

N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide (PubChem CID 90936345) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide
PubChem CID90936345
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide
SMILES[H]/N=C/C(C(C)=O)N(CC)C(=O)C(C)C
InChIInChI=1S/C10H18N2O2/c1-5-12(10(14)7(2)3)9(6-11)8(4)13/h6-7,9,11H,5H2,1-4H3/b11-6+
InChIKeyRQVFVOPCAKLNAR-IZZDOVSWSA-N
XLogP1.10
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide (CID 90936345) is N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide is [H]/N=C/C(C(C)=O)N(CC)C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide?
The InChIKey is RQVFVOPCAKLNAR-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-12(10(14)7(2)3)9(6-11)8(4)13/h6-7,9,11H,5H2,1-4H3/b11-6+.
What are the key properties of N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide?
N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-imino-3-oxobutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 90936345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).