N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide

C14H19N3O3 — CID 170489550

IUPACN-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C14H19N3O3/c1-11(18)16-9-5-4-7-12-6-2-3-8-13(12)20-10-14(19)17-15/h2-4,6-8H,5,9-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKLRMYKPQATZDFI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.59
Rot. Bonds7

About N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide

N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide (PubChem CID 170489550) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
PubChem CID170489550
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C14H19N3O3/c1-11(18)16-9-5-4-7-12-6-2-3-8-13(12)20-10-14(19)17-15/h2-4,6-8H,5,9-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKLRMYKPQATZDFI-UHFFFAOYSA-N
XLogP0.59
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
CID 169466327
2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
CID 170477419
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
N-[4-[2-(methylsulfonylmethyl)phenyl]but-3-enyl]acetamide
CID 170489195
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
2-[2-(4-chlorobut-1-enyl)phenoxy]acetic acid
CID 170499701
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide?
The IUPAC name of N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide (CID 170489550) is N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide?
The canonical SMILES for N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccccc1OCC(=O)NN.
What is the InChIKey of N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide?
The InChIKey is KLRMYKPQATZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(18)16-9-5-4-7-12-6-2-3-8-13(12)20-10-14(19)17-15/h2-4,6-8H,5,9-10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide?
N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide is sourced from PubChem (CID 170489550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).