[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate

C20H27NO5 — CID 70384263

IUPAC[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=C(O)CCN(CCC2Cc3ccccc3OC2(C)C)C1
InChIInChI=1S/C20H27NO5/c1-20(2)15(12-14-6-4-5-7-17(14)26-20)8-10-21-11-9-16(22)18(13-21)25-19(23)24-3/h4-7,15,22H,8-13H2,1-3H3
InChIKeyDKPLHYCWNQZVNN-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.66
Rot. Bonds4

About [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate

[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (PubChem CID 70384263) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
PubChem CID70384263
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
SMILESCOC(=O)OC1=C(O)CCN(CCC2Cc3ccccc3OC2(C)C)C1
InChIInChI=1S/C20H27NO5/c1-20(2)15(12-14-6-4-5-7-17(14)26-20)8-10-21-11-9-16(22)18(13-21)25-19(23)24-3/h4-7,15,22H,8-13H2,1-3H3
InChIKeyDKPLHYCWNQZVNN-UHFFFAOYSA-N
XLogP3.66
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)methylamino]propanoate
CID 54254889
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)amino]propanoate
CID 54420076
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
[1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 67935919
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
CID 175925706
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
methyl 2-(cyclopropylamino)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 63028394
methyl 2,3-dihydro-1-benzofuran-2-carboxylate;methyl 2-methyl-3H-1-benzofuran-2-carboxylate
CID 160696115
3-(2,2-dimethyl-3,4-dihydrochromen-3-yl)prop-2-enoic acid
CID 91527429
(2R,3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51886614

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The IUPAC name of [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate (CID 70384263) is [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The canonical SMILES for [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is COC(=O)OC1=C(O)CCN(CCC2Cc3ccccc3OC2(C)C)C1.
What is the InChIKey of [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
The InChIKey is DKPLHYCWNQZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-20(2)15(12-14-6-4-5-7-17(14)26-20)8-10-21-11-9-16(22)18(13-21)25-19(23)24-3/h4-7,15,22H,8-13H2,1-3H3.
What are the key properties of [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate?
[1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate has a molecular weight of 361.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethyl]-4-hydroxy-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate is sourced from PubChem (CID 70384263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).