N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide

C11H23N3O3 — CID 76926408

IUPACN-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)C(CC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-3-5-6-14(7-8-15)11(16)9(4-2)10(12)13-17/h9,15,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDVFUBBXGPHTGNR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.38
Rot. Bonds8

About N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide

N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 76926408) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
PubChem CID76926408
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)C(CC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-3-5-6-14(7-8-15)11(16)9(4-2)10(12)13-17/h9,15,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDVFUBBXGPHTGNR-UHFFFAOYSA-N
XLogP0.38
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.38
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'}

Analyze N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide (CID 76926408) is N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide is CCCCN(CCO)C(=O)C(CC)C(N)=NO.
What is the InChIKey of N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is DVFUBBXGPHTGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-3-5-6-14(7-8-15)11(16)9(4-2)10(12)13-17/h9,15,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide?
N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 245.32 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 76926408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).