1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one

C27H34N2O3 — CID 162663321

IUPAC1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCOc1ccccc1CNCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C27H34N2O3/c1-22-27(32-21-23-12-6-5-7-13-23)25(30)16-19-29(22)18-11-4-3-10-17-28-20-24-14-8-9-15-26(24)31-2/h5-9,12-16,19,28H,3-4,10-11,17-18,20-21H2,1-2H3
InChIKeyNOYYPSXZLJMCPI-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.09
Rot. Bonds13

About 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one

1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 162663321) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID162663321
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCOc1ccccc1CNCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C27H34N2O3/c1-22-27(32-21-23-12-6-5-7-13-23)25(30)16-19-29(22)18-11-4-3-10-17-28-20-24-14-8-9-15-26(24)31-2/h5-9,12-16,19,28H,3-4,10-11,17-18,20-21H2,1-2H3
InChIKeyNOYYPSXZLJMCPI-UHFFFAOYSA-N
XLogP5.09
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.09
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

1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
1-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560153
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208311
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208332
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17157734
5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211831
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 162663321) is 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one is COc1ccccc1CNCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C.
What is the InChIKey of 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is NOYYPSXZLJMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-22-27(32-21-23-12-6-5-7-13-23)25(30)16-19-29(22)18-11-4-3-10-17-28-20-24-14-8-9-15-26(24)31-2/h5-9,12-16,19,28H,3-4,10-11,17-18,20-21H2,1-2H3.
What are the key properties of 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 434.58 g/mol, XLogP of 5.09, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methoxyphenyl)methylamino]hexyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 162663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).