2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide

C14H25N3O3 — CID 103166142

IUPAC2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
SMILESCCOC1CC(CC(=O)NC2CCCC2C(N)=NO)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-10-6-9(7-10)8-13(18)16-12-5-3-4-11(12)14(15)17-19/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyGBMNLWGVOQJCEA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.22
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide

2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide (PubChem CID 103166142) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
PubChem CID103166142
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
SMILESCCOC1CC(CC(=O)NC2CCCC2C(N)=NO)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-10-6-9(7-10)8-13(18)16-12-5-3-4-11(12)14(15)17-19/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyGBMNLWGVOQJCEA-UHFFFAOYSA-N
XLogP1.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-(2-aminocyclopentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164928
2-(3-ethoxycyclobutyl)-N-(3-hydroxycyclobutyl)acetamide
CID 103164715
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
CID 77015041
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
CID 76978469
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
CID 103168138
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide (CID 103166142) is 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide is CCOC1CC(CC(=O)NC2CCCC2C(N)=NO)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
The InChIKey is GBMNLWGVOQJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-10-6-9(7-10)8-13(18)16-12-5-3-4-11(12)14(15)17-19/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide?
2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide is sourced from PubChem (CID 103166142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).