benzyl 2-(2-benzylprop-2-enoylamino)acetate

C19H19NO3 — CID 13242778

IUPACbenzyl 2-(2-benzylprop-2-enoylamino)acetate
SMILESC=C(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22)
InChIKeyYKINYFHTXSOMQZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds7

About benzyl 2-(2-benzylprop-2-enoylamino)acetate

benzyl 2-(2-benzylprop-2-enoylamino)acetate (PubChem CID 13242778) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is benzyl 2-(2-benzylprop-2-enoylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-benzylprop-2-enoylamino)acetate
PubChem CID13242778
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namebenzyl 2-(2-benzylprop-2-enoylamino)acetate
SMILESC=C(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22)
InChIKeyYKINYFHTXSOMQZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-benzylprop-2-enoylamino)acetate?
The IUPAC name of benzyl 2-(2-benzylprop-2-enoylamino)acetate (CID 13242778) is benzyl 2-(2-benzylprop-2-enoylamino)acetate.
What is the SMILES notation for benzyl 2-(2-benzylprop-2-enoylamino)acetate?
The canonical SMILES for benzyl 2-(2-benzylprop-2-enoylamino)acetate is C=C(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-benzylprop-2-enoylamino)acetate?
The InChIKey is YKINYFHTXSOMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22).
What are the key properties of benzyl 2-(2-benzylprop-2-enoylamino)acetate?
benzyl 2-(2-benzylprop-2-enoylamino)acetate has a molecular weight of 309.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-benzylprop-2-enoylamino)acetate is sourced from PubChem (CID 13242778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).