3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one

C19H24N2O2 — CID 50968651

IUPAC3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one
SMILESC=C(C)COc1ccccc1CNCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C19H24N2O2/c1-13(2)12-23-18-8-6-5-7-16(18)10-20-11-17-15(4)19(22)14(3)9-21-17/h5-9,20H,1,10-12H2,2-4H3,(H,21,22)
InChIKeyBMHCBNMMBQTQCE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.24
Rot. Bonds7

About 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one (PubChem CID 50968651) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one
PubChem CID50968651
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one
SMILESC=C(C)COc1ccccc1CNCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C19H24N2O2/c1-13(2)12-23-18-8-6-5-7-16(18)10-20-11-17-15(4)19(22)14(3)9-21-17/h5-9,20H,1,10-12H2,2-4H3,(H,21,22)
InChIKeyBMHCBNMMBQTQCE-UHFFFAOYSA-N
XLogP3.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 117296323
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
4-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 46999503
N',N'-diethyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethane-1,2-diamine
CID 54849249
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-(hydrazinylmethyl)-3,5-dimethyl-1H-pyridin-4-one
CID 127239984
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54847740
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one (CID 50968651) is 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one is C=C(C)COc1ccccc1CNCc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one?
The InChIKey is BMHCBNMMBQTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)12-23-18-8-6-5-7-16(18)10-20-11-17-15(4)19(22)14(3)9-21-17/h5-9,20H,1,10-12H2,2-4H3,(H,21,22).
What are the key properties of 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one has a molecular weight of 312.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 50968651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).