N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

C10H21N3O2 — CID 114292493

IUPACN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCC(C)NC(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(3)12-9(14)10(4,6-2)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyVYJRACREUBEWOT-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.06
Rot. Bonds5

About N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide

N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (PubChem CID 114292493) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
PubChem CID114292493
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
SMILESCCC(C)NC(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(3)12-9(14)10(4,6-2)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyVYJRACREUBEWOT-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide (CID 114292493) is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide.
What is the SMILES notation for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The canonical SMILES for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is CCC(C)NC(=O)C(C)(CC)C(N)=NO.
What is the InChIKey of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
The InChIKey is VYJRACREUBEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7(3)12-9(14)10(4,6-2)8(11)13-15/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide?
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide is sourced from PubChem (CID 114292493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).