2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate

C24H25NO4 — CID 6055240

IUPAC2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate
SMILESCCN(CC)CCOC(=O)/C=C/c1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C24H25NO4/c1-3-25(4-2)15-16-28-23(27)14-13-19-11-8-12-20-21(26)17-22(29-24(19)20)18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3/b14-13+
InChIKeyDLARMASZNXPTIV-BUHFOSPRSA-N
MW391.47 g/mol
LogP4.36
Rot. Bonds8

About 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate

2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate (PubChem CID 6055240) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate
PubChem CID6055240
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate
SMILESCCN(CC)CCOC(=O)/C=C/c1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C24H25NO4/c1-3-25(4-2)15-16-28-23(27)14-13-19-11-8-12-20-21(26)17-22(29-24(19)20)18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3/b14-13+
InChIKeyDLARMASZNXPTIV-BUHFOSPRSA-N
XLogP4.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate?
The IUPAC name of 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate (CID 6055240) is 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate.
What is the SMILES notation for 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate?
The canonical SMILES for 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate is CCN(CC)CCOC(=O)/C=C/c1cccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate?
The InChIKey is DLARMASZNXPTIV-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H25NO4/c1-3-25(4-2)15-16-28-23(27)14-13-19-11-8-12-20-21(26)17-22(29-24(19)20)18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3/b14-13+.
What are the key properties of 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate?
2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate has a molecular weight of 391.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (E)-3-(4-oxo-2-phenylchromen-8-yl)prop-2-enoate is sourced from PubChem (CID 6055240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).