3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one

C18H24N2O2 — CID 82526120

IUPAC3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(C(N)c2c(C)cc(C)n(C(C)C)c2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-11(2)20-13(4)10-12(3)16(18(20)21)17(19)14-6-8-15(22-5)9-7-14/h6-11,17H,19H2,1-5H3
InChIKeyDEEGXLFHCXHPEG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.10
Rot. Bonds4

About 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one

3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 82526120) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID82526120
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(C(N)c2c(C)cc(C)n(C(C)C)c2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-11(2)20-13(4)10-12(3)16(18(20)21)17(19)14-6-8-15(22-5)9-7-14/h6-11,17H,19H2,1-5H3
InChIKeyDEEGXLFHCXHPEG-UHFFFAOYSA-N
XLogP3.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526128
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
CID 82525197
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525271
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one (CID 82526120) is 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one is COc1ccc(C(N)c2c(C)cc(C)n(C(C)C)c2=O)cc1.
What is the InChIKey of 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is DEEGXLFHCXHPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)20-13(4)10-12(3)16(18(20)21)17(19)14-6-8-15(22-5)9-7-14/h6-11,17H,19H2,1-5H3.
What are the key properties of 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82526120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).