[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate

C19H19NO4 — CID 2607556

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
SMILESC=CCNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-12-20-18(21)14-24-19(22)16-8-10-17(11-9-16)23-13-15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,20,21)
InChIKeyWLWSHFPCCNXMJG-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.72
Rot. Bonds8

About [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate

[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate (PubChem CID 2607556) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
PubChem CID2607556
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
SMILESC=CCNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-12-20-18(21)14-24-19(22)16-8-10-17(11-9-16)23-13-15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,20,21)
InChIKeyWLWSHFPCCNXMJG-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-phenylmethoxybenzoate
CID 8952047
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7284277
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
CID 2609297

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate (CID 2607556) is [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate is C=CCNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate?
The InChIKey is WLWSHFPCCNXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-12-20-18(21)14-24-19(22)16-8-10-17(11-9-16)23-13-15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,20,21).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate?
[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate has a molecular weight of 325.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 2607556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).