N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide

C15H29N3O2 — CID 104864532

IUPACN-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCC1CCC1)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-3-9-15(10-4-2,13(16)18-20)14(19)17-11-8-12-6-5-7-12/h12,20H,3-11H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWEZQODLKMGDXOH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.63
Rot. Bonds9

About N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide

N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide (PubChem CID 104864532) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
PubChem CID104864532
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCC1CCC1)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-3-9-15(10-4-2,13(16)18-20)14(19)17-11-8-12-6-5-7-12/h12,20H,3-11H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWEZQODLKMGDXOH-UHFFFAOYSA-N
XLogP2.63
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.63
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

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylcyclopentyl)methyl]-2-propylpentanamide
CID 107420169
2-(N'-hydroxycarbamimidoyl)-N-(3-propoxypropyl)-2-propylpentanamide
CID 82942363
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfinylethyl)-2-propylpentanamide
CID 104864779
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
CID 76924998
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]-2-propylpentanamide
CID 104877299
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
CID 83142236
N-[2-(dimethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 76928663
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
CID 76925166
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide?
The IUPAC name of N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide (CID 104864532) is N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide?
The canonical SMILES for N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide is CCCC(CCC)(C(=O)NCCC1CCC1)C(N)=NO.
What is the InChIKey of N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide?
The InChIKey is WEZQODLKMGDXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-9-15(10-4-2,13(16)18-20)14(19)17-11-8-12-6-5-7-12/h12,20H,3-11H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide?
N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide has a molecular weight of 283.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide is sourced from PubChem (CID 104864532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).