2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate

C14H15NO3 — CID 172634996

IUPAC2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
SMILESC=CC(=O)NCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-13(16)15-10-11-18-14(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,16)
InChIKeyGQKUVSROODTPPJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds6

About 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate

2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate (PubChem CID 172634996) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
PubChem CID172634996
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
SMILESC=CC(=O)NCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-13(16)15-10-11-18-14(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,16)
InChIKeyGQKUVSROODTPPJ-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
2-ethenylsulfanylethyl (E)-3-phenylprop-2-enoate
CID 70468065
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
2-(3-methylbutylamino)ethyl (E)-3-phenylprop-2-enoate
CID 82532023
4-(prop-2-enoylamino)butyl 3-[3,4-bis[4-(prop-2-enoylamino)butoxy]phenyl]prop-2-enoate
CID 54434842
butan-2-yl (Z)-3-phenylprop-2-enoate;N-dodecylprop-2-enamide
CID 158903845
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate (CID 172634996) is 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate is C=CC(=O)NCCOC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate?
The InChIKey is GQKUVSROODTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-13(16)15-10-11-18-14(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,16).
What are the key properties of 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate?
2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 172634996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).