2-[4-(diethylamino)phenyl]ethyl prop-2-enoate

C15H21NO2 — CID 68773183

IUPAC2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H21NO2/c1-4-15(17)18-12-11-13-7-9-14(10-8-13)16(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3
InChIKeyQXKMUGZDCQQWCA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds7

About 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate

2-[4-(diethylamino)phenyl]ethyl prop-2-enoate (PubChem CID 68773183) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
PubChem CID68773183
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H21NO2/c1-4-15(17)18-12-11-13-7-9-14(10-8-13)16(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3
InChIKeyQXKMUGZDCQQWCA-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
CID 150471657
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate
CID 22374556
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-[4-[[[3-[[[4-(2-prop-2-enoyloxyethyl)phenyl]-propylcarbamoyl]-propylamino]phenyl]-propylcarbamoyl]-propylamino]phenyl]ethyl prop-2-enoate
CID 89252382
2-[4-[4-(6-methoxyhexyl)-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 58883094
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl 2-methylprop-2-enoate
CID 139538030
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate (CID 68773183) is 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate?
The InChIKey is QXKMUGZDCQQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-15(17)18-12-11-13-7-9-14(10-8-13)16(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate?
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 68773183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).