4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C16H25N3O2 — CID 102907478

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(/C(N)=N/O)cc1)C(C)C
InChIInChI=1S/C16H25N3O2/c1-10(2)14(11(3)4)9-18-16(20)13-7-5-12(6-8-13)15(17)19-21/h5-8,10-11,14,21H,9H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyRAOZXFMVYMAVSL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.44
Rot. Bonds6

About 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide

4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102907478) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102907478
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCC(C)C(CNC(=O)c1ccc(/C(N)=N/O)cc1)C(C)C
InChIInChI=1S/C16H25N3O2/c1-10(2)14(11(3)4)9-18-16(20)13-7-5-12(6-8-13)15(17)19-21/h5-8,10-11,14,21H,9H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyRAOZXFMVYMAVSL-UHFFFAOYSA-N
XLogP2.44
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.44
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'}

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Related Compounds

4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pentan-3-ylbenzamide
CID 43332996
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
CID 55102187
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810
4-(N'-hydroxycarbamimidoyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 76927606
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76947328
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylpentan-3-yl)benzamide
CID 106330933

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102907478) is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CC(C)C(CNC(=O)c1ccc(/C(N)=N/O)cc1)C(C)C.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is RAOZXFMVYMAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)14(11(3)4)9-18-16(20)13-7-5-12(6-8-13)15(17)19-21/h5-8,10-11,14,21H,9H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102907478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).