ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate

C18H25NO5 — CID 162117699

IUPACethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1c(OC)cc(C=C2CCCN2C)cc1OC
InChIInChI=1S/C18H25NO5/c1-5-23-17(20)12-24-18-15(21-3)10-13(11-16(18)22-4)9-14-7-6-8-19(14)2/h9-11H,5-8,12H2,1-4H3
InChIKeyZGZJTCMZBBXVCO-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.71
Rot. Bonds7

About ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate

ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate (PubChem CID 162117699) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate
PubChem CID162117699
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1c(OC)cc(C=C2CCCN2C)cc1OC
InChIInChI=1S/C18H25NO5/c1-5-23-17(20)12-24-18-15(21-3)10-13(11-16(18)22-4)9-14-7-6-8-19(14)2/h9-11H,5-8,12H2,1-4H3
InChIKeyZGZJTCMZBBXVCO-UHFFFAOYSA-N
XLogP2.71
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate (CID 162117699) is ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate is CCOC(=O)COc1c(OC)cc(C=C2CCCN2C)cc1OC.
What is the InChIKey of ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate?
The InChIKey is ZGZJTCMZBBXVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-5-23-17(20)12-24-18-15(21-3)10-13(11-16(18)22-4)9-14-7-6-8-19(14)2/h9-11H,5-8,12H2,1-4H3.
What are the key properties of ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate?
ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate has a molecular weight of 335.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,6-dimethoxy-4-[(1-methylpyrrolidin-2-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 162117699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).