N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide

C11H19N3O3 — CID 170209191

IUPACN-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide
SMILESC=CCC(=O)NCCNC(=O)C(=O)CNCC
InChIInChI=1S/C11H19N3O3/c1-3-5-10(16)13-6-7-14-11(17)9(15)8-12-4-2/h3,12H,1,4-8H2,2H3,(H,13,16)(H,14,17)
InChIKeyGFBHNQPBNNULEA-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.03
Rot. Bonds9

About N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide

N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide (PubChem CID 170209191) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide
PubChem CID170209191
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide
SMILESC=CCC(=O)NCCNC(=O)C(=O)CNCC
InChIInChI=1S/C11H19N3O3/c1-3-5-10(16)13-6-7-14-11(17)9(15)8-12-4-2/h3,12H,1,4-8H2,2H3,(H,13,16)(H,14,17)
InChIKeyGFBHNQPBNNULEA-UHFFFAOYSA-N
XLogP-1.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide?
The IUPAC name of N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide (CID 170209191) is N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide.
What is the SMILES notation for N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide?
The canonical SMILES for N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide is C=CCC(=O)NCCNC(=O)C(=O)CNCC.
What is the InChIKey of N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide?
The InChIKey is GFBHNQPBNNULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-10(16)13-6-7-14-11(17)9(15)8-12-4-2/h3,12H,1,4-8H2,2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide?
N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide has a molecular weight of 241.29 g/mol, XLogP of -1.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide is sourced from PubChem (CID 170209191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).