(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one

C24H31NO2 — CID 14695989

IUPAC(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one
SMILESCCN(CC)CCOc1c(C)cc(C(=O)/C=C/c2ccccc2C)cc1C
InChIInChI=1S/C24H31NO2/c1-6-25(7-2)14-15-27-24-19(4)16-22(17-20(24)5)23(26)13-12-21-11-9-8-10-18(21)3/h8-13,16-17H,6-7,14-15H2,1-5H3/b13-12+
InChIKeyRJMCZWCRWALPKA-OUKQBFOZSA-N
MW365.52 g/mol
LogP5.23
Rot. Bonds9

About (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one

(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one (PubChem CID 14695989) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID14695989
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one
SMILESCCN(CC)CCOc1c(C)cc(C(=O)/C=C/c2ccccc2C)cc1C
InChIInChI=1S/C24H31NO2/c1-6-25(7-2)14-15-27-24-19(4)16-22(17-20(24)5)23(26)13-12-21-11-9-8-10-18(21)3/h8-13,16-17H,6-7,14-15H2,1-5H3/b13-12+
InChIKeyRJMCZWCRWALPKA-OUKQBFOZSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-3,3-diphenylpropan-1-one
CID 21331744
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 53405740
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637
2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
CID 19895394
1-[4-[3-(dimethylamino)propyl]phenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 54292317
5-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine;oxalic acid
CID 3039007
(E)-1-butoxy-4-(2-methylphenyl)but-3-en-2-one
CID 102148761

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one (CID 14695989) is (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one is CCN(CC)CCOc1c(C)cc(C(=O)/C=C/c2ccccc2C)cc1C.
What is the InChIKey of (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is RJMCZWCRWALPKA-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H31NO2/c1-6-25(7-2)14-15-27-24-19(4)16-22(17-20(24)5)23(26)13-12-21-11-9-8-10-18(21)3/h8-13,16-17H,6-7,14-15H2,1-5H3/b13-12+.
What are the key properties of (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one?
(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 365.52 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 14695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).