N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

C13H28N4O2 — CID 76921205

IUPACN-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NC(C)CCN(C)C)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-6-13(7-2,11(14)16-19)12(18)15-10(3)8-9-17(4)5/h10,19H,6-9H2,1-5H3,(H2,14,16)(H,15,18)
InChIKeyWFZOGLIFXAFISE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.00
Rot. Bonds8

About N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76921205) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76921205
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NC(C)CCN(C)C)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-6-13(7-2,11(14)16-19)12(18)15-10(3)8-9-17(4)5/h10,19H,6-9H2,1-5H3,(H2,14,16)(H,15,18)
InChIKeyWFZOGLIFXAFISE-UHFFFAOYSA-N
XLogP1.00
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.00
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

N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76929727
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide
CID 79813844
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921454
N-(4-amino-4-oxobutan-2-yl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104870496
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292493
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 104864369

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76921205) is N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(CC)(C(=O)NC(C)CCN(C)C)C(N)=NO.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is WFZOGLIFXAFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-6-13(7-2,11(14)16-19)12(18)15-10(3)8-9-17(4)5/h10,19H,6-9H2,1-5H3,(H2,14,16)(H,15,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 272.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76921205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).