[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate

C16H19NO4 — CID 175049317

IUPAC[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate
SMILESC=CC(=O)OC(CNCCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C16H19NO4/c1-3-14(18)20-16(21-15(19)4-2)12-17-11-10-13-8-6-5-7-9-13/h3-9,16-17H,1-2,10-12H2
InChIKeyZPXBLLLRLGFHPJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds9

About [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate

[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate (PubChem CID 175049317) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate
PubChem CID175049317
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate
SMILESC=CC(=O)OC(CNCCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C16H19NO4/c1-3-14(18)20-16(21-15(19)4-2)12-17-11-10-13-8-6-5-7-9-13/h3-9,16-17H,1-2,10-12H2
InChIKeyZPXBLLLRLGFHPJ-UHFFFAOYSA-N
XLogP1.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-3-phenylpropyl) prop-2-enoate
CID 174849887
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
(Z)-3-ethenyl-N-(2-phenylethyl)pent-3-en-1-amine
CID 137380998
methyl 3-methyl-2-[(2-phenylethylamino)methyl]butanoate
CID 14442921
1-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
1,3-bis(benzylsulfanyl)propan-2-yl prop-2-enoate
CID 54311286
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate?
The IUPAC name of [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate (CID 175049317) is [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate.
What is the SMILES notation for [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate?
The canonical SMILES for [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate is C=CC(=O)OC(CNCCc1ccccc1)OC(=O)C=C.
What is the InChIKey of [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate?
The InChIKey is ZPXBLLLRLGFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-14(18)20-16(21-15(19)4-2)12-17-11-10-13-8-6-5-7-9-13/h3-9,16-17H,1-2,10-12H2.
What are the key properties of [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate?
[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate has a molecular weight of 289.33 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate is sourced from PubChem (CID 175049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).