2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide

C13H25N3O3 — CID 76934467

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide
SMILESCCC(CC)(C(=O)NC1CCCC1OC)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-13(5-2,11(14)16-18)12(17)15-9-7-6-8-10(9)19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyMICCKZDZMMOTAB-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.22
Rot. Bonds6

About 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide (PubChem CID 76934467) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide
PubChem CID76934467
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide
SMILESCCC(CC)(C(=O)NC1CCCC1OC)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-13(5-2,11(14)16-18)12(17)15-9-7-6-8-10(9)19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyMICCKZDZMMOTAB-UHFFFAOYSA-N
XLogP1.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
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'}

Analyze 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
CID 76941448
2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921626
N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 83022850
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861
N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920246
2,2,3,3-tetrafluoro-N-(2-methoxycyclopentyl)propanamide
CID 103758662
1,1-diethyl-3-(2-methoxycyclopentyl)urea
CID 115693925
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(thian-4-ylmethyl)butanamide
CID 104866189
2-amino-N-(2-methoxycyclopentyl)-3,3-dimethylbutanamide
CID 76934435
5-amino-N-(2-methoxycyclopentyl)-4-methylpentanamide
CID 82010981
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide (CID 76934467) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide is CCC(CC)(C(=O)NC1CCCC1OC)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide?
The InChIKey is MICCKZDZMMOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-13(5-2,11(14)16-18)12(17)15-9-7-6-8-10(9)19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide has a molecular weight of 271.36 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-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide is sourced from PubChem (CID 76934467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).