3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one

C25H29NO5 — CID 16673234

IUPAC3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
SMILESCOc1ccc(OC)c(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)c1
InChIInChI=1S/C25H29NO5/c1-17-6-8-24-22(11-17)25(27)19(16-31-24)14-26(15-21-5-4-10-30-21)13-18-12-20(28-2)7-9-23(18)29-3/h6-9,11-12,16,21H,4-5,10,13-15H2,1-3H3
InChIKeyRBQGEEXROGWPTK-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.30
Rot. Bonds8

About 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one

3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one (PubChem CID 16673234) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one.

Molecular Properties

Compound Name3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
PubChem CID16673234
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
SMILESCOc1ccc(OC)c(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)c1
InChIInChI=1S/C25H29NO5/c1-17-6-8-24-22(11-17)25(27)19(16-31-24)14-26(15-21-5-4-10-30-21)13-18-12-20(28-2)7-9-23(18)29-3/h6-9,11-12,16,21H,4-5,10,13-15H2,1-3H3
InChIKeyRBQGEEXROGWPTK-UHFFFAOYSA-N
XLogP4.30
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-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

3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
CID 43818706
3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 51497390
N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818695
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 3586298
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130
N-benzyl-2-[butylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4290074
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The IUPAC name of 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one (CID 16673234) is 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one.
What is the SMILES notation for 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The canonical SMILES for 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one is COc1ccc(OC)c(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)c1.
What is the InChIKey of 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The InChIKey is RBQGEEXROGWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-17-6-8-24-22(11-17)25(27)19(16-31-24)14-26(15-21-5-4-10-30-21)13-18-12-20(28-2)7-9-23(18)29-3/h6-9,11-12,16,21H,4-5,10,13-15H2,1-3H3.
What are the key properties of 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one has a molecular weight of 423.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one is sourced from PubChem (CID 16673234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).