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

C13H25N3O3 — CID 76941448

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
SMILESCCC(CC)(C(=O)NC1CCCCC1O)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)16-19)12(18)15-9-7-5-6-8-10(9)17/h9-10,17,19H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyPZQHHJBIAATDOU-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.96
Rot. Bonds5

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

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide (PubChem CID 76941448) 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-hydroxycyclohexyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
PubChem CID76941448
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide
SMILESCCC(CC)(C(=O)NC1CCCCC1O)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)16-19)12(18)15-9-7-5-6-8-10(9)17/h9-10,17,19H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyPZQHHJBIAATDOU-UHFFFAOYSA-N
XLogP0.96
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.96
H-Bond Donors ≤ 54
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-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxycyclopentyl)butanamide
CID 76934467
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
N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920246
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpentanamide
CID 107222009
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-cyano-N-(2-hydroxycycloheptyl)-2-methylbutanamide
CID 113394780
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide (CID 76941448) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide is CCC(CC)(C(=O)NC1CCCCC1O)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide?
The InChIKey is PZQHHJBIAATDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-13(4-2,11(14)16-19)12(18)15-9-7-5-6-8-10(9)17/h9-10,17,19H,3-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxycyclohexyl)butanamide is sourced from PubChem (CID 76941448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).