2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide

C20H24IN3O — CID 134567056

IUPAC2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(C(=O)NCC(CC)(CC)c2ccccc2)ccc1N
InChIInChI=1S/C20H24IN3O/c1-3-20(4-2,15-8-6-5-7-9-15)13-24-19(25)14-10-11-17(22)16(12-14)18(21)23/h5-12,23H,3-4,13,22H2,1-2H3,(H,24,25)/b23-18-
InChIKeyZPXHFDOKPIBJSS-NKFKGCMQSA-N
MW449.34 g/mol
LogP4.52
Rot. Bonds7

About 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide

2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide (PubChem CID 134567056) has the molecular formula C20H24IN3O and a molecular weight of 449.34 g/mol. Its IUPAC name is 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide.

Molecular Properties

Compound Name2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide
PubChem CID134567056
Molecular FormulaC20H24IN3O
Molecular Weight449.34 g/mol
Exact Mass449.10
IUPAC Name2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1cc(C(=O)NCC(CC)(CC)c2ccccc2)ccc1N
InChIInChI=1S/C20H24IN3O/c1-3-20(4-2,15-8-6-5-7-9-15)13-24-19(25)14-10-11-17(22)16(12-14)18(21)23/h5-12,23H,3-4,13,22H2,1-2H3,(H,24,25)/b23-18-
InChIKeyZPXHFDOKPIBJSS-NKFKGCMQSA-N
XLogP4.52
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-ethyl-2-phenylbutyl)-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzenecarboximidoyl]benzamide
CID 134567428
2-amino-5-[[(1S)-3,3-dimethyl-1-phenylbutyl]carbamoyl]benzenecarboximidoyl iodide
CID 134567392
4-amino-N-(2-ethyl-2-phenylbutyl)-3-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxybenzenecarboximidoyl]benzamide
CID 123660318
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
CID 61139412
5-[(2-ethyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685814
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
CID 120563575
N-(2-ethyl-2-phenylbutyl)-2-(methylamino)acetamide
CID 119808350
1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide?
The IUPAC name of 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide (CID 134567056) is 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide.
What is the SMILES notation for 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide?
The canonical SMILES for 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide is [H]/N=C(\I)c1cc(C(=O)NCC(CC)(CC)c2ccccc2)ccc1N.
What is the InChIKey of 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide?
The InChIKey is ZPXHFDOKPIBJSS-NKFKGCMQSA-N. The full InChI is InChI=1S/C20H24IN3O/c1-3-20(4-2,15-8-6-5-7-9-15)13-24-19(25)14-10-11-17(22)16(12-14)18(21)23/h5-12,23H,3-4,13,22H2,1-2H3,(H,24,25)/b23-18-.
What are the key properties of 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide?
2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide has a molecular weight of 449.34 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-ethyl-2-phenylbutyl)carbamoyl]benzenecarboximidoyl iodide is sourced from PubChem (CID 134567056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).