(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one

C24H23NO2 — CID 52937342

IUPAC(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one
SMILESCOc1ccc2cc(/C=C/C(=O)/C=C/c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C24H23NO2/c1-25(2)22-11-5-18(6-12-22)7-13-23(26)14-8-19-4-9-21-17-24(27-3)15-10-20(21)16-19/h4-17H,1-3H3/b13-7+,14-8+
InChIKeyMPPUCJKAXPVGLT-FNCQTZNRSA-N
MW357.45 g/mol
LogP5.21
Rot. Bonds6

About (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one (PubChem CID 52937342) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one
PubChem CID52937342
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one
SMILESCOc1ccc2cc(/C=C/C(=O)/C=C/c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C24H23NO2/c1-25(2)22-11-5-18(6-12-22)7-13-23(26)14-8-19-4-9-21-17-24(27-3)15-10-20(21)16-19/h4-17H,1-3H3/b13-7+,14-8+
InChIKeyMPPUCJKAXPVGLT-FNCQTZNRSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tolnaftate
CID 5510
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 869055
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760347
4-(6-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)naphthalen-2-yl)-N-methylbenzenamine
CID 56662842
6-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)phenyl)-N-methylnaphthalen-2-amine
CID 56673238
2-[4-(Dimethylamino)phenyl]benzo[h]chromen-4-one
CID 56945194
(4-Dimethylamino-phenyl)-(4-methoxy-naphthalen-1-yl)-methanone
CID 815403
N-[2-(3-(3-Acetylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579296

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one (CID 52937342) is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one is COc1ccc2cc(/C=C/C(=O)/C=C/c3ccc(N(C)C)cc3)ccc2c1.
What is the InChIKey of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one?
The InChIKey is MPPUCJKAXPVGLT-FNCQTZNRSA-N. The full InChI is InChI=1S/C24H23NO2/c1-25(2)22-11-5-18(6-12-22)7-13-23(26)14-8-19-4-9-21-17-24(27-3)15-10-20(21)16-19/h4-17H,1-3H3/b13-7+,14-8+.
What are the key properties of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one?
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one has a molecular weight of 357.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(6-methoxynaphthalen-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 52937342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).