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

C13H17N3O3 — CID 169466327

IUPACN-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C13H17N3O3/c1-10(17)15-8-4-6-11-5-2-3-7-12(11)19-9-13(18)16-14/h2-7H,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCNSSEMSSMVGYHS-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.20
Rot. Bonds6

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

N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide (PubChem CID 169466327) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
PubChem CID169466327
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C13H17N3O3/c1-10(17)15-8-4-6-11-5-2-3-7-12(11)19-9-13(18)16-14/h2-7H,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCNSSEMSSMVGYHS-UHFFFAOYSA-N
XLogP0.20
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
CID 170489550
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
CID 170477419
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide (CID 169466327) is N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccccc1OCC(=O)NN.
What is the InChIKey of N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide?
The InChIKey is CNSSEMSSMVGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10(17)15-8-4-6-11-5-2-3-7-12(11)19-9-13(18)16-14/h2-7H,8-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide?
N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).