N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide

C11H23N3O2 — CID 114292634

IUPACN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8-14(7-3)10(15)11(4,6-2)9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNLTYKEQWSHBZSH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds6

About N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide

N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide (PubChem CID 114292634) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
PubChem CID114292634
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
SMILESCCCN(CC)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8-14(7-3)10(15)11(4,6-2)9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNLTYKEQWSHBZSH-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.41
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

N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114292695
N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 103103726
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76919969
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
CID 114292631
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
N-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 114292733
N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292655
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 113270772
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114291987
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76921580
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 114292643
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
CID 105419946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide?
The IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide (CID 114292634) is N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide.
What is the SMILES notation for N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide?
The canonical SMILES for N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide is CCCN(CC)C(=O)C(C)(CC)C(N)=NO.
What is the InChIKey of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide?
The InChIKey is NLTYKEQWSHBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8-14(7-3)10(15)11(4,6-2)9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide?
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide is sourced from PubChem (CID 114292634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).