N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide

C12H21N3O2 — CID 143947857

IUPACN-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide
SMILESC=CN(C=O)CCC(=C)NCCNC(=O)CC
InChIInChI=1S/C12H21N3O2/c1-4-12(17)14-8-7-13-11(3)6-9-15(5-2)10-16/h5,10,13H,2-4,6-9H2,1H3,(H,14,17)
InChIKeyCXSFTEQRTKMUJV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.61
Rot. Bonds10

About N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide

N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide (PubChem CID 143947857) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide
PubChem CID143947857
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide
SMILESC=CN(C=O)CCC(=C)NCCNC(=O)CC
InChIInChI=1S/C12H21N3O2/c1-4-12(17)14-8-7-13-11(3)6-9-15(5-2)10-16/h5,10,13H,2-4,6-9H2,1H3,(H,14,17)
InChIKeyCXSFTEQRTKMUJV-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide?
The IUPAC name of N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide (CID 143947857) is N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide is C=CN(C=O)CCC(=C)NCCNC(=O)CC.
What is the InChIKey of N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide?
The InChIKey is CXSFTEQRTKMUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(17)14-8-7-13-11(3)6-9-15(5-2)10-16/h5,10,13H,2-4,6-9H2,1H3,(H,14,17).
What are the key properties of N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide?
N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[ethenyl(formyl)amino]but-1-en-2-ylamino]ethyl]propanamide is sourced from PubChem (CID 143947857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).