N-[2-[(propanoylamino)methylimino]ethyl]propanamide

C9H17N3O2 — CID 76583346

IUPACN-[2-[(propanoylamino)methylimino]ethyl]propanamide
SMILESCCC(=O)NCC=NCNC(=O)CC
InChIInChI=1S/C9H17N3O2/c1-3-8(13)11-6-5-10-7-12-9(14)4-2/h5H,3-4,6-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBMHADEJKXWEXHI-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.07
Rot. Bonds6

About N-[2-[(propanoylamino)methylimino]ethyl]propanamide

N-[2-[(propanoylamino)methylimino]ethyl]propanamide (PubChem CID 76583346) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-[(propanoylamino)methylimino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(propanoylamino)methylimino]ethyl]propanamide
PubChem CID76583346
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[2-[(propanoylamino)methylimino]ethyl]propanamide
SMILESCCC(=O)NCC=NCNC(=O)CC
InChIInChI=1S/C9H17N3O2/c1-3-8(13)11-6-5-10-7-12-9(14)4-2/h5H,3-4,6-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBMHADEJKXWEXHI-UHFFFAOYSA-N
XLogP0.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(propanoylamino)methylimino]ethyl]propanamide?
The IUPAC name of N-[2-[(propanoylamino)methylimino]ethyl]propanamide (CID 76583346) is N-[2-[(propanoylamino)methylimino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(propanoylamino)methylimino]ethyl]propanamide?
The canonical SMILES for N-[2-[(propanoylamino)methylimino]ethyl]propanamide is CCC(=O)NCC=NCNC(=O)CC.
What is the InChIKey of N-[2-[(propanoylamino)methylimino]ethyl]propanamide?
The InChIKey is BMHADEJKXWEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-8(13)11-6-5-10-7-12-9(14)4-2/h5H,3-4,6-7H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(propanoylamino)methylimino]ethyl]propanamide?
N-[2-[(propanoylamino)methylimino]ethyl]propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(propanoylamino)methylimino]ethyl]propanamide is sourced from PubChem (CID 76583346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).