2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one

C16H24N2O2 — CID 59341468

IUPAC2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one
SMILESC=CCC(C)(C(=O)c1ccc(NCCO)cc1)N(C)C
InChIInChI=1S/C16H24N2O2/c1-5-10-16(2,18(3)4)15(20)13-6-8-14(9-7-13)17-11-12-19/h5-9,17,19H,1,10-12H2,2-4H3
InChIKeyZOVXNTXACCGTAW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds8

About 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one

2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one (PubChem CID 59341468) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one
PubChem CID59341468
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one
SMILESC=CCC(C)(C(=O)c1ccc(NCCO)cc1)N(C)C
InChIInChI=1S/C16H24N2O2/c1-5-10-16(2,18(3)4)15(20)13-6-8-14(9-7-13)17-11-12-19/h5-9,17,19H,1,10-12H2,2-4H3
InChIKeyZOVXNTXACCGTAW-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one?
The IUPAC name of 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one (CID 59341468) is 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one?
The canonical SMILES for 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one is C=CCC(C)(C(=O)c1ccc(NCCO)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one?
The InChIKey is ZOVXNTXACCGTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-10-16(2,18(3)4)15(20)13-6-8-14(9-7-13)17-11-12-19/h5-9,17,19H,1,10-12H2,2-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one?
2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(2-hydroxyethylamino)phenyl]-2-methylpent-4-en-1-one is sourced from PubChem (CID 59341468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).