3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one

C23H25NO4 — CID 51497390

IUPAC3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
SMILESCOc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@H]1CCCO1
InChIInChI=1S/C23H25NO4/c1-26-21-10-4-2-7-17(21)13-24(15-19-8-6-12-27-19)14-18-16-28-22-11-5-3-9-20(22)23(18)25/h2-5,7,9-11,16,19H,6,8,12-15H2,1H3/t19-/m1/s1
InChIKeyOMVCFPYWQHIKKK-LJQANCHMSA-N
MW379.46 g/mol
LogP3.98
Rot. Bonds7

About 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one

3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one (PubChem CID 51497390) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
PubChem CID51497390
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
SMILESCOc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@H]1CCCO1
InChIInChI=1S/C23H25NO4/c1-26-21-10-4-2-7-17(21)13-24(15-19-8-6-12-27-19)14-18-16-28-22-11-5-3-9-20(22)23(18)25/h2-5,7,9-11,16,19H,6,8,12-15H2,1H3/t19-/m1/s1
InChIKeyOMVCFPYWQHIKKK-LJQANCHMSA-N
XLogP3.98
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
CID 16673234
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
CID 43818706
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374
N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3663024
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 94402643
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51497422

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one?
The IUPAC name of 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one (CID 51497390) is 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one.
What is the SMILES notation for 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one?
The canonical SMILES for 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one is COc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@H]1CCCO1.
What is the InChIKey of 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one?
The InChIKey is OMVCFPYWQHIKKK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-21-10-4-2-7-17(21)13-24(15-19-8-6-12-27-19)14-18-16-28-22-11-5-3-9-20(22)23(18)25/h2-5,7,9-11,16,19H,6,8,12-15H2,1H3/t19-/m1/s1.
What are the key properties of 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one?
3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one is sourced from PubChem (CID 51497390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).