[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate

C18H26N2O5 — CID 144528685

IUPAC[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
SMILESCOc1cc(C[C@@H]2CCOC2=O)ccc1OC(=O)N(C)CCN(C)C
InChIInChI=1S/C18H26N2O5/c1-19(2)8-9-20(3)18(22)25-15-6-5-13(12-16(15)23-4)11-14-7-10-24-17(14)21/h5-6,12,14H,7-11H2,1-4H3/t14-/m0/s1
InChIKeyWVEHTEPEBRHVFC-AWEZNQCLSA-N
MW350.42 g/mol
LogP1.79
Rot. Bonds7

About [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate

[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate (PubChem CID 144528685) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
PubChem CID144528685
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
SMILESCOc1cc(C[C@@H]2CCOC2=O)ccc1OC(=O)N(C)CCN(C)C
InChIInChI=1S/C18H26N2O5/c1-19(2)8-9-20(3)18(22)25-15-6-5-13(12-16(15)23-4)11-14-7-10-24-17(14)21/h5-6,12,14H,7-11H2,1-4H3/t14-/m0/s1
InChIKeyWVEHTEPEBRHVFC-AWEZNQCLSA-N
XLogP1.79
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 71512507
[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] pyrrolidine-1-carboxylate
CID 123511137
[2-methoxy-4-[(2-oxooxolan-3-yl)methyl]phenyl] piperidine-1-carboxylate
CID 144528687
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] N-methyl-N-phenylcarbamate
CID 127043057
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 71512726
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71714216
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 3,3-dimethylbutanoate
CID 71714075
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]oxyphenyl]methyl]oxolan-2-one
CID 132536089
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate (CID 144528685) is [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate is COc1cc(C[C@@H]2CCOC2=O)ccc1OC(=O)N(C)CCN(C)C.
What is the InChIKey of [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
The InChIKey is WVEHTEPEBRHVFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-19(2)8-9-20(3)18(22)25-15-6-5-13(12-16(15)23-4)11-14-7-10-24-17(14)21/h5-6,12,14H,7-11H2,1-4H3/t14-/m0/s1.
What are the key properties of [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate?
[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate has a molecular weight of 350.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]methyl]phenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 144528685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).