ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide

C9H22N4O2 — CID 142382398

IUPACethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide
SMILESCC.CCC(=O)NCCNC(=O)CNN
InChIInChI=1S/C7H16N4O2.C2H6/c1-2-6(12)9-3-4-10-7(13)5-11-8;1-2/h11H,2-5,8H2,1H3,(H,9,12)(H,10,13);1-2H3
InChIKeyAZTAOJQFIOSVNO-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.88
Rot. Bonds6

About ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide

ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide (PubChem CID 142382398) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide
PubChem CID142382398
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC Nameethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide
SMILESCC.CCC(=O)NCCNC(=O)CNN
InChIInChI=1S/C7H16N4O2.C2H6/c1-2-6(12)9-3-4-10-7(13)5-11-8;1-2/h11H,2-5,8H2,1H3,(H,9,12)(H,10,13);1-2H3
InChIKeyAZTAOJQFIOSVNO-UHFFFAOYSA-N
XLogP-0.88
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide?
The IUPAC name of ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide (CID 142382398) is ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide.
What is the SMILES notation for ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide?
The canonical SMILES for ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide is CC.CCC(=O)NCCNC(=O)CNN.
What is the InChIKey of ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide?
The InChIKey is AZTAOJQFIOSVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.C2H6/c1-2-6(12)9-3-4-10-7(13)5-11-8;1-2/h11H,2-5,8H2,1H3,(H,9,12)(H,10,13);1-2H3.
What are the key properties of ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide?
ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 142382398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).