N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

C12H23N3O2 — CID 104866315

IUPACN-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCC1(NC(=O)C(C)(CC)C(N)=NO)CCC1
InChIInChI=1S/C12H23N3O2/c1-4-11(3,9(13)15-17)10(16)14-12(5-2)7-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyKMSLOERCFMHYON-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (PubChem CID 104866315) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
PubChem CID104866315
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCC1(NC(=O)C(C)(CC)C(N)=NO)CCC1
InChIInChI=1S/C12H23N3O2/c1-4-11(3,9(13)15-17)10(16)14-12(5-2)7-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyKMSLOERCFMHYON-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
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 N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide 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-(1-ethylcyclopentyl)-2,2-dimethylpropanamide
CID 58542277
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114293033
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292493
3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide
CID 113497133
3-amino-N-(1-ethylcyclobutyl)-3-methylbutanamide
CID 115739871
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420162
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
CID 105419946
(2S)-2-amino-N-(1-ethylcyclobutyl)-3,3-dimethylbutanamide
CID 104866235
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
N-(3,5-difluorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114292587
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 114292506

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The IUPAC name of N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (CID 104866315) is N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is CCC1(NC(=O)C(C)(CC)C(N)=NO)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The InChIKey is KMSLOERCFMHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-11(3,9(13)15-17)10(16)14-12(5-2)7-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is sourced from PubChem (CID 104866315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).