N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide

C11H23N3O2 — CID 114292631

IUPACN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)C(C)(CC)C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O2/c1-6-11(5,9(12)13-16)10(15)14(7-2)8(3)4/h8,16H,6-7H2,1-5H3,(H2,12,13)
InChIKeyFDGGKWJWJUUHOO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds5

About N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide

N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide (PubChem CID 114292631) 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-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
PubChem CID114292631
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)C(C)(CC)C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O2/c1-6-11(5,9(12)13-16)10(15)14(7-2)8(3)4/h8,16H,6-7H2,1-5H3,(H2,12,13)
InChIKeyFDGGKWJWJUUHOO-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide?
The IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide (CID 114292631) is N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide is CCN(C(=O)C(C)(CC)C(N)=NO)C(C)C.
What is the InChIKey of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide?
The InChIKey is FDGGKWJWJUUHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-11(5,9(12)13-16)10(15)14(7-2)8(3)4/h8,16H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide?
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.41, 5 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-propan-2-ylbutanamide is sourced from PubChem (CID 114292631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).