(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one

C24H28N2O4 — CID 71482427

IUPAC(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(OCCOc2ccc(C(=O)/C=C/N(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-25(2)15-13-23(27)19-5-9-21(10-6-19)29-17-18-30-22-11-7-20(8-12-22)24(28)14-16-26(3)4/h5-16H,17-18H2,1-4H3/b15-13+,16-14+
InChIKeyWTXKMAWOCHPTLA-WXUKJITCSA-N
MW408.50 g/mol
LogP3.66
Rot. Bonds11

About (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one (PubChem CID 71482427) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
PubChem CID71482427
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(OCCOc2ccc(C(=O)/C=C/N(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4/c1-25(2)15-13-23(27)19-5-9-21(10-6-19)29-17-18-30-22-11-7-20(8-12-22)24(28)14-16-26(3)4/h5-16H,17-18H2,1-4H3/b15-13+,16-14+
InChIKeyWTXKMAWOCHPTLA-WXUKJITCSA-N
XLogP3.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 20764033
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(E)-1-[4-(2-aminoethoxy)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102366350
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
CID 91007742
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-3-(3,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 52644072
1-[4-(3-chloropropoxy)-2-hydroxyphenyl]-3-(dimethylamino)prop-2-en-1-one
CID 2766149
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]formamide
CID 173199056

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one (CID 71482427) is (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one is CN(C)/C=C/C(=O)c1ccc(OCCOc2ccc(C(=O)/C=C/N(C)C)cc2)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one?
The InChIKey is WTXKMAWOCHPTLA-WXUKJITCSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-25(2)15-13-23(27)19-5-9-21(10-6-19)29-17-18-30-22-11-7-20(8-12-22)24(28)14-16-26(3)4/h5-16H,17-18H2,1-4H3/b15-13+,16-14+.
What are the key properties of (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one has a molecular weight of 408.50 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 71482427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).