N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide

C10H18N2O2 — CID 90725546

IUPACN-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide
SMILES[H]/N=C/C(C(C)=O)N(C(=O)CC)C(C)C
InChIInChI=1S/C10H18N2O2/c1-5-10(14)12(7(2)3)9(6-11)8(4)13/h6-7,9,11H,5H2,1-4H3/b11-6+
InChIKeyHZPYHUFQOKCUBN-IZZDOVSWSA-N
MW198.27 g/mol
LogP1.24
Rot. Bonds5

About N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide

N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide (PubChem CID 90725546) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide
PubChem CID90725546
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide
SMILES[H]/N=C/C(C(C)=O)N(C(=O)CC)C(C)C
InChIInChI=1S/C10H18N2O2/c1-5-10(14)12(7(2)3)9(6-11)8(4)13/h6-7,9,11H,5H2,1-4H3/b11-6+
InChIKeyHZPYHUFQOKCUBN-IZZDOVSWSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide (CID 90725546) is N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide is [H]/N=C/C(C(C)=O)N(C(=O)CC)C(C)C.
What is the InChIKey of N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is HZPYHUFQOKCUBN-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-10(14)12(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-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide?
N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-3-oxobutan-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 90725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).