3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one

C24H27NO4 — CID 43818706

IUPAC3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
SMILESCOc1ccc(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)cc1
InChIInChI=1S/C24H27NO4/c1-17-5-10-23-22(12-17)24(26)19(16-29-23)14-25(15-21-4-3-11-28-21)13-18-6-8-20(27-2)9-7-18/h5-10,12,16,21H,3-4,11,13-15H2,1-2H3
InChIKeyVQBPZAZOKMALTK-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.29
Rot. Bonds7

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

3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one (PubChem CID 43818706) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
PubChem CID43818706
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
SMILESCOc1ccc(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)cc1
InChIInChI=1S/C24H27NO4/c1-17-5-10-23-22(12-17)24(26)19(16-29-23)14-25(15-21-4-3-11-28-21)13-18-6-8-20(27-2)9-7-18/h5-10,12,16,21H,3-4,11,13-15H2,1-2H3
InChIKeyVQBPZAZOKMALTK-UHFFFAOYSA-N
XLogP4.29
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
CID 16673234
3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 51497390
N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3663024
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-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-benzyl-2-[butylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4290074
3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723
N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55360891
N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818695

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one (CID 43818706) is 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one is COc1ccc(CN(Cc2coc3ccc(C)cc3c2=O)CC2CCCO2)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
The InChIKey is VQBPZAZOKMALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-17-5-10-23-22(12-17)24(26)19(16-29-23)14-25(15-21-4-3-11-28-21)13-18-6-8-20(27-2)9-7-18/h5-10,12,16,21H,3-4,11,13-15H2,1-2H3.
What are the key properties of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one?
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one is sourced from PubChem (CID 43818706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).