N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide

C15H23N3O2 — CID 77034566

IUPACN-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1C(C)(C)C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-5-10(13(16)18-20)14(19)17-12-9-7-6-8-11(12)15(2,3)4/h6-10,20H,5H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyBDNJITYRHBZOPB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.70
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 77034566) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID77034566
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1C(C)(C)C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-5-10(13(16)18-20)14(19)17-12-9-7-6-8-11(12)15(2,3)4/h6-10,20H,5H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyBDNJITYRHBZOPB-UHFFFAOYSA-N
XLogP2.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.70
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-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)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-(2,3-dimethylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925032
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314622
2-(N'-hydroxycarbamimidoyl)-N-(2-methylquinolin-8-yl)butanamide
CID 76978266
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,5-trifluorophenyl)butanamide
CID 55117974
N-(5-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926207
N-(2-fluoro-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926222
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926138
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 77034566) is N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)Nc1ccccc1C(C)(C)C)C(N)=NO.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is BDNJITYRHBZOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-10(13(16)18-20)14(19)17-12-9-7-6-8-11(12)15(2,3)4/h6-10,20H,5H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 77034566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).