ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate

C15H21N2O4- — CID 20832115

IUPACethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(N([O-])O)cc1)N(CC)CC
InChIInChI=1S/C15H21N2O4/c1-4-16(5-2)14(15(18)21-6-3)11-12-7-9-13(10-8-12)17(19)20/h7-11,19H,4-6H2,1-3H3/q-1/b14-11+
InChIKeyCXWBNFXVDWDPCM-SDNWHVSQSA-N
MW293.34 g/mol
LogP2.63
Rot. Bonds7

About ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate

ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate (PubChem CID 20832115) has the molecular formula C15H21N2O4- and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate
PubChem CID20832115
Molecular FormulaC15H21N2O4-
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Nameethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(N([O-])O)cc1)N(CC)CC
InChIInChI=1S/C15H21N2O4/c1-4-16(5-2)14(15(18)21-6-3)11-12-7-9-13(10-8-12)17(19)20/h7-11,19H,4-6H2,1-3H3/q-1/b14-11+
InChIKeyCXWBNFXVDWDPCM-SDNWHVSQSA-N
XLogP2.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-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

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate (CID 20832115) is ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate is CCOC(=O)/C(=C\c1ccc(N([O-])O)cc1)N(CC)CC.
What is the InChIKey of ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate?
The InChIKey is CXWBNFXVDWDPCM-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H21N2O4/c1-4-16(5-2)14(15(18)21-6-3)11-12-7-9-13(10-8-12)17(19)20/h7-11,19H,4-6H2,1-3H3/q-1/b14-11+.
What are the key properties of ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate?
ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate has a molecular weight of 293.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(diethylamino)-3-[4-[hydroxy(oxido)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 20832115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).