2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide

C15H22IN3O2 — CID 76925270

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)Nc1ccc(I)cc1)C(N)=NO
InChIInChI=1S/C15H22IN3O2/c1-3-9-15(10-4-2,13(17)19-21)14(20)18-12-7-5-11(16)6-8-12/h5-8,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyJNTGBBHZVWQHIQ-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.56
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide (PubChem CID 76925270) has the molecular formula C15H22IN3O2 and a molecular weight of 403.26 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide
PubChem CID76925270
Molecular FormulaC15H22IN3O2
Molecular Weight403.26 g/mol
Exact Mass403.08
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)Nc1ccc(I)cc1)C(N)=NO
InChIInChI=1S/C15H22IN3O2/c1-3-9-15(10-4-2,13(17)19-21)14(20)18-12-7-5-11(16)6-8-12/h5-8,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyJNTGBBHZVWQHIQ-UHFFFAOYSA-N
XLogP3.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.56
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': 'iodine', '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-(3,5-dimethylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919947
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
CID 76932961
N-(3,5-dichlorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919932
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)-2-propylpentanamide
CID 106421903
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
CID 76989091
N-(4-amino-4-oxobutan-2-yl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104870496
N-(4-chloro-2-iodophenyl)-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107637397
1-(4-iodophenyl)-2-propylguanidine
CID 62380143
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
CID 83142236
N-[2-(dimethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 76928663
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfinylethyl)-2-propylpentanamide
CID 104864779
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
CID 76924998

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide (CID 76925270) is 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide is CCCC(CCC)(C(=O)Nc1ccc(I)cc1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide?
The InChIKey is JNTGBBHZVWQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O2/c1-3-9-15(10-4-2,13(17)19-21)14(20)18-12-7-5-11(16)6-8-12/h5-8,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide has a molecular weight of 403.26 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide is sourced from PubChem (CID 76925270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).