6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one

C17H30N2O3 — CID 82523455

IUPAC6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(C(C)(C)C)ccc(CNCCOC)c1=O
InChIInChI=1S/C17H30N2O3/c1-17(2,3)15-8-7-14(13-18-9-12-22-5)16(20)19(15)10-6-11-21-4/h7-8,18H,6,9-13H2,1-5H3
InChIKeyYVGXNDGWHMQULY-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.92
Rot. Bonds9

About 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one

6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82523455) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82523455
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(C(C)(C)C)ccc(CNCCOC)c1=O
InChIInChI=1S/C17H30N2O3/c1-17(2,3)15-8-7-14(13-18-9-12-22-5)16(20)19(15)10-6-11-21-4/h7-8,18H,6,9-13H2,1-5H3
InChIKeyYVGXNDGWHMQULY-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1-methylpyridin-2-one
CID 82520140
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one (CID 82523455) is 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one is COCCCn1c(C(C)(C)C)ccc(CNCCOC)c1=O.
What is the InChIKey of 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is YVGXNDGWHMQULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)15-8-7-14(13-18-9-12-22-5)16(20)19(15)10-6-11-21-4/h7-8,18H,6,9-13H2,1-5H3.
What are the key properties of 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one?
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82523455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).