1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one

C14H19NO3 — CID 2769037

IUPAC1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one
SMILESCOc1cccc(OC(C)C(=O)C=CN(C)C)c1
InChIInChI=1S/C14H19NO3/c1-11(14(16)8-9-15(2)3)18-13-7-5-6-12(10-13)17-4/h5-11H,1-4H3
InChIKeyDULANNSDWJJJLF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds6

About 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one

1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one (PubChem CID 2769037) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one
PubChem CID2769037
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one
SMILESCOc1cccc(OC(C)C(=O)C=CN(C)C)c1
InChIInChI=1S/C14H19NO3/c1-11(14(16)8-9-15(2)3)18-13-7-5-6-12(10-13)17-4/h5-11H,1-4H3
InChIKeyDULANNSDWJJJLF-UHFFFAOYSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one?
The IUPAC name of 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one (CID 2769037) is 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one.
What is the SMILES notation for 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one?
The canonical SMILES for 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one is COc1cccc(OC(C)C(=O)C=CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one?
The InChIKey is DULANNSDWJJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(14(16)8-9-15(2)3)18-13-7-5-6-12(10-13)17-4/h5-11H,1-4H3.
What are the key properties of 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one?
1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one has a molecular weight of 249.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-(3-methoxyphenoxy)pent-1-en-3-one is sourced from PubChem (CID 2769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).