3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide

C14H21N3O2 — CID 43570523

IUPAC3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)10(3)17(4)14(18)12-7-5-6-11(8-12)13(15)16-19/h5-10,19H,1-4H3,(H2,15,16)
InChIKeyLIAVJJAUUUDGKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds4

About 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide

3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43570523) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID43570523
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)10(3)17(4)14(18)12-7-5-6-11(8-12)13(15)16-19/h5-10,19H,1-4H3,(H2,15,16)
InChIKeyLIAVJJAUUUDGKZ-UHFFFAOYSA-N
XLogP1.90
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
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'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77017462
N-benzyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 43333102
3-(N'-hydroxycarbamimidoyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 76947355
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 43570523) is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(C)C(=O)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is LIAVJJAUUUDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)10(3)17(4)14(18)12-7-5-6-11(8-12)13(15)16-19/h5-10,19H,1-4H3,(H2,15,16).
What are the key properties of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide?
3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43570523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).