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

C16H23NO2 — CID 150471657

IUPAC2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15-9-7-14(8-10-15)11-12-19-16(18)13(3)4/h7-10H,3,5-6,11-12H2,1-2,4H3
InChIKeyHRXPEHLIOZGHOH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds7

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

2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 150471657) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
PubChem CID150471657
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H23NO2/c1-5-17(6-2)15-9-7-14(8-10-15)11-12-19-16(18)13(3)4/h7-10H,3,5-6,11-12H2,1-2,4H3
InChIKeyHRXPEHLIOZGHOH-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
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'}

Analyze 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
2-(4-formylphenyl)ethyl 2-methylprop-2-enoate
CID 132521284
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl 2-methylprop-2-enoate
CID 139538030
bis[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] benzene-1,4-dicarboxylate
CID 129197747
2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121
2-[3,4-bis(sulfanyl)phenyl]ethyl 2-methylprop-2-enoate
CID 129175213
2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392192
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58004900
2-(2-hydroxybenzotriazol-5-yl)ethyl 2-methylprop-2-enoate
CID 139707339
2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate
CID 151360943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate (CID 150471657) is 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is HRXPEHLIOZGHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-17(6-2)15-9-7-14(8-10-15)11-12-19-16(18)13(3)4/h7-10H,3,5-6,11-12H2,1-2,4H3.
What are the key properties of 2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate?
2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 261.37 g/mol, XLogP of 3.19, 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 2-methylprop-2-enoate is sourced from PubChem (CID 150471657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).