N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

C10H20N4O3 — CID 103103726

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-4-10(3,8(12)13-17)9(16)14(5-2)6-7(11)15/h17H,4-6H2,1-3H3,(H2,11,15)(H2,12,13)
InChIKeyVSYHNHCSQHBOCT-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.52
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (PubChem CID 103103726) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
PubChem CID103103726
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-4-10(3,8(12)13-17)9(16)14(5-2)6-7(11)15/h17H,4-6H2,1-3H3,(H2,11,15)(H2,12,13)
InChIKeyVSYHNHCSQHBOCT-UHFFFAOYSA-N
XLogP-0.52
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (CID 103103726) is N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is CCN(CC(N)=O)C(=O)C(C)(CC)C(N)=NO.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The InChIKey is VSYHNHCSQHBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-4-10(3,8(12)13-17)9(16)14(5-2)6-7(11)15/h17H,4-6H2,1-3H3,(H2,11,15)(H2,12,13).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide has a molecular weight of 244.29 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is sourced from PubChem (CID 103103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).