4-(4-aminobut-2-enoxy)benzamide

C11H14N2O2 — CID 77110813

IUPAC4-(4-aminobut-2-enoxy)benzamide
SMILESNCC=CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h1-6H,7-8,12H2,(H2,13,14)
InChIKeyARRYHIHAZRXRNN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.68
Rot. Bonds5

About 4-(4-aminobut-2-enoxy)benzamide

4-(4-aminobut-2-enoxy)benzamide (PubChem CID 77110813) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(4-aminobut-2-enoxy)benzamide.

Molecular Properties

Compound Name4-(4-aminobut-2-enoxy)benzamide
PubChem CID77110813
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(4-aminobut-2-enoxy)benzamide
SMILESNCC=CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h1-6H,7-8,12H2,(H2,13,14)
InChIKeyARRYHIHAZRXRNN-UHFFFAOYSA-N
XLogP0.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxoethoxy)benzamide
CID 54336602
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
4-(4-chlorophenoxy)but-2-en-1-amine
CID 77110764
4-phenoxybut-2-en-1-amine
CID 68864521
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-naphthalen-2-yloxybut-2-en-1-amine
CID 77110191
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
bis(4-carbamoylphenoxy)-oxophosphanium
CID 175103323
methyl 4-(4-bromobut-2-enoxy)benzoate
CID 53406810
4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobut-2-enoxy)benzamide?
The IUPAC name of 4-(4-aminobut-2-enoxy)benzamide (CID 77110813) is 4-(4-aminobut-2-enoxy)benzamide.
What is the SMILES notation for 4-(4-aminobut-2-enoxy)benzamide?
The canonical SMILES for 4-(4-aminobut-2-enoxy)benzamide is NCC=CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-aminobut-2-enoxy)benzamide?
The InChIKey is ARRYHIHAZRXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h1-6H,7-8,12H2,(H2,13,14).
What are the key properties of 4-(4-aminobut-2-enoxy)benzamide?
4-(4-aminobut-2-enoxy)benzamide has a molecular weight of 206.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-2-enoxy)benzamide is sourced from PubChem (CID 77110813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).