ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate

C15H21N3O3 — CID 57428113

IUPACethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
SMILESC=CCN(NCC(=O)OCC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-3-10-18(17-12-14(19)21-4-2)15(20)16-11-13-8-6-5-7-9-13/h3,5-9,17H,1,4,10-12H2,2H3,(H,16,20)
InChIKeySVHLYPSDFFQFKX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds8

About ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate

ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate (PubChem CID 57428113) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
PubChem CID57428113
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
SMILESC=CCN(NCC(=O)OCC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-3-10-18(17-12-14(19)21-4-2)15(20)16-11-13-8-6-5-7-9-13/h3,5-9,17H,1,4,10-12H2,2H3,(H,16,20)
InChIKeySVHLYPSDFFQFKX-UHFFFAOYSA-N
XLogP1.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[benzylcarbamoyl(prop-2-enyl)amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
CID 159431089
1-amino-3-benzyl-1-prop-2-enylurea
CID 57428112
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
ethyl 2-[phenylmethoxycarbonyl-(prop-2-enylamino)amino]acetate
CID 101065288
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
(Z)-4-(benzylamino)-4-ethoxybut-3-en-2-one
CID 101098623
ethyl 2-[2-phenylethylsulfonyl(prop-2-enyl)amino]acetate
CID 78978422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate?
The IUPAC name of ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate (CID 57428113) is ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate?
The canonical SMILES for ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate is C=CCN(NCC(=O)OCC)C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate?
The InChIKey is SVHLYPSDFFQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-10-18(17-12-14(19)21-4-2)15(20)16-11-13-8-6-5-7-9-13/h3,5-9,17H,1,4,10-12H2,2H3,(H,16,20).
What are the key properties of ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate?
ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate is sourced from PubChem (CID 57428113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).