2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

C16H23N3O2 — CID 54234843

IUPAC2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESCC=CCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C16H23N3O2/c1-5-6-11-21-12-16(20)18-15-10-8-7-9-14(15)17-13(2)19(3)4/h5-10H,11-12H2,1-4H3,(H,18,20)/b6-5?,17-13+
InChIKeyQLUYDYBWDWHYBU-PTWRYWMMSA-N
MW289.38 g/mol
LogP2.83
Rot. Bonds6

About 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (PubChem CID 54234843) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound Name2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
PubChem CID54234843
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESCC=CCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C16H23N3O2/c1-5-6-11-21-12-16(20)18-15-10-8-7-9-14(15)17-13(2)19(3)4/h5-10H,11-12H2,1-4H3,(H,18,20)/b6-5?,17-13+
InChIKeyQLUYDYBWDWHYBU-PTWRYWMMSA-N
XLogP2.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The IUPAC name of 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (CID 54234843) is 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The canonical SMILES for 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is CC=CCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C.
What is the InChIKey of 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The InChIKey is QLUYDYBWDWHYBU-PTWRYWMMSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-11-21-12-16(20)18-15-10-8-7-9-14(15)17-13(2)19(3)4/h5-10H,11-12H2,1-4H3,(H,18,20)/b6-5?,17-13+.
What are the key properties of 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 54234843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).