3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one

C20H26N2O5 — CID 130407748

IUPAC3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
SMILESCOc1ccc(CN(C)CCC(=O)c2cc(OC)nc(OC)c2)c(OC)c1
InChIInChI=1S/C20H26N2O5/c1-22(13-14-6-7-16(24-2)12-18(14)25-3)9-8-17(23)15-10-19(26-4)21-20(11-15)27-5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyPXHXRBDNBNBGCZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.82
Rot. Bonds10

About 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one

3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one (PubChem CID 130407748) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
PubChem CID130407748
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
SMILESCOc1ccc(CN(C)CCC(=O)c2cc(OC)nc(OC)c2)c(OC)c1
InChIInChI=1S/C20H26N2O5/c1-22(13-14-6-7-16(24-2)12-18(14)25-3)9-8-17(23)15-10-19(26-4)21-20(11-15)27-5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyPXHXRBDNBNBGCZ-UHFFFAOYSA-N
XLogP2.82
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one (CID 130407748) is 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one is COc1ccc(CN(C)CCC(=O)c2cc(OC)nc(OC)c2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one?
The InChIKey is PXHXRBDNBNBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-22(13-14-6-7-16(24-2)12-18(14)25-3)9-8-17(23)15-10-19(26-4)21-20(11-15)27-5/h6-7,10-12H,8-9,13H2,1-5H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one?
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one has a molecular weight of 374.44 g/mol, XLogP of 2.82, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one is sourced from PubChem (CID 130407748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).