3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one

C14H19NO2 — CID 91007742

IUPAC3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CN(C)C)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-11-6-7-12(10-14(11)17-4)13(16)8-9-15(2)3/h6-10H,5H2,1-4H3
InChIKeyNNQTVWHMIOJVTE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds5

About 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one

3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one (PubChem CID 91007742) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
PubChem CID91007742
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CN(C)C)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-11-6-7-12(10-14(11)17-4)13(16)8-9-15(2)3/h6-10H,5H2,1-4H3
InChIKeyNNQTVWHMIOJVTE-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
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)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-3-(dimethylamino)-1-[4-[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 71482427
(E)-3-(dimethylamino)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 20764033
methyl N-[[5-[3-(dimethylamino)prop-2-enoyl]-2-methylphenyl]methyl]carbamate
CID 123663859
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 129196340
(E)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 63706116
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
2-bromo-1-(4-ethyl-3-methoxyphenyl)-4-methylpentan-1-one
CID 167489135
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
1-amino-3-[2-[[4-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylurea
CID 129110080
1-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one;1,1-diethoxy-N,N-dimethylmethanamine
CID 67706352

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one (CID 91007742) is 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one is CCc1ccc(C(=O)C=CN(C)C)cc1OC.
What is the InChIKey of 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is NNQTVWHMIOJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-11-6-7-12(10-14(11)17-4)13(16)8-9-15(2)3/h6-10H,5H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one?
3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-ethyl-3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 91007742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).