2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide

C10H21N3O2 — CID 76925488

IUPAC2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)N(C)CC(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-8(9(11)12-15)10(14)13(4)6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWDGVTTXIBSUFDU-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.87
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide (PubChem CID 76925488) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
PubChem CID76925488
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)N(C)CC(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-8(9(11)12-15)10(14)13(4)6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWDGVTTXIBSUFDU-UHFFFAOYSA-N
XLogP0.87
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76925666
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102995709
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009567
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 55097504

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide (CID 76925488) is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide is CCC(C(=O)N(C)CC(C)C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is WDGVTTXIBSUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-8(9(11)12-15)10(14)13(4)6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 215.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 76925488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).