(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one

C14H19NO2 — CID 20764033

IUPAC(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C(=O)/C=C/N(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-10H,4,11H2,1-3H3/b10-9+
InChIKeyYTKIQSQALWEGRC-MDZDMXLPSA-N
MW233.31 g/mol
LogP2.73
Rot. Bonds6

About (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one

(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one (PubChem CID 20764033) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
PubChem CID20764033
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C(=O)/C=C/N(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-10H,4,11H2,1-3H3/b10-9+
InChIKeyYTKIQSQALWEGRC-MDZDMXLPSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.73
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

(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 71482427
(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 22971976
4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]benzoate
CID 8828157
2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9447721
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 9447720
2-[4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]phenoxy]acetonitrile
CID 9034627
(E)-3-(4-nitrophenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 8828153
3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
CID 91007742
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one (CID 20764033) is (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one is CCCOc1ccc(C(=O)/C=C/N(C)C)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one?
The InChIKey is YTKIQSQALWEGRC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-11-17-13-7-5-12(6-8-13)14(16)9-10-15(2)3/h5-10H,4,11H2,1-3H3/b10-9+.
What are the key properties of (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 20764033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).