N-(morpholine-4-carboximidoyl)butanamide

C9H17N3O2 — CID 154044270

IUPACN-(morpholine-4-carboximidoyl)butanamide
SMILES[H]/N=C(\NC(=O)CCC)N1CCOCC1
InChIInChI=1S/C9H17N3O2/c1-2-3-8(13)11-9(10)12-4-6-14-7-5-12/h2-7H2,1H3,(H2,10,11,13)
InChIKeyOAAHHZZJIITJNG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.17
Rot. Bonds2

About N-(morpholine-4-carboximidoyl)butanamide

N-(morpholine-4-carboximidoyl)butanamide (PubChem CID 154044270) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(morpholine-4-carboximidoyl)butanamide.

Molecular Properties

Compound NameN-(morpholine-4-carboximidoyl)butanamide
PubChem CID154044270
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(morpholine-4-carboximidoyl)butanamide
SMILES[H]/N=C(\NC(=O)CCC)N1CCOCC1
InChIInChI=1S/C9H17N3O2/c1-2-3-8(13)11-9(10)12-4-6-14-7-5-12/h2-7H2,1H3,(H2,10,11,13)
InChIKeyOAAHHZZJIITJNG-UHFFFAOYSA-N
XLogP0.17
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.17
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(morpholine-4-carboximidoyl)butanamide?
The IUPAC name of N-(morpholine-4-carboximidoyl)butanamide (CID 154044270) is N-(morpholine-4-carboximidoyl)butanamide.
What is the SMILES notation for N-(morpholine-4-carboximidoyl)butanamide?
The canonical SMILES for N-(morpholine-4-carboximidoyl)butanamide is [H]/N=C(\NC(=O)CCC)N1CCOCC1.
What is the InChIKey of N-(morpholine-4-carboximidoyl)butanamide?
The InChIKey is OAAHHZZJIITJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-8(13)11-9(10)12-4-6-14-7-5-12/h2-7H2,1H3,(H2,10,11,13).
What are the key properties of N-(morpholine-4-carboximidoyl)butanamide?
N-(morpholine-4-carboximidoyl)butanamide has a molecular weight of 199.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholine-4-carboximidoyl)butanamide is sourced from PubChem (CID 154044270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).