N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

C13H25N3O2 — CID 114292655

IUPACN-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)(CC)C(N)=NO)C1CCCC1
InChIInChI=1S/C13H25N3O2/c1-4-13(3,11(14)15-18)12(17)16(5-2)10-8-6-7-9-10/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyQHLUCCLIOICNIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds5

About N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (PubChem CID 114292655) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
PubChem CID114292655
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)(CC)C(N)=NO)C1CCCC1
InChIInChI=1S/C13H25N3O2/c1-4-13(3,11(14)15-18)12(17)16(5-2)10-8-6-7-9-10/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyQHLUCCLIOICNIW-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
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

2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
CID 114292634
N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 103103726
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
CID 114292631
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114292695
2-amino-N-cyclopentyl-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796711
N-cyclopentyl-N-ethyl-2-methyl-2-(methylamino)propanamide
CID 62836195
N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
CID 102865941
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420162

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (CID 114292655) is N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is CCN(C(=O)C(C)(CC)C(N)=NO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The InChIKey is QHLUCCLIOICNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-13(3,11(14)15-18)12(17)16(5-2)10-8-6-7-9-10/h10,18H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is sourced from PubChem (CID 114292655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).