[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate

C19H21NO6 — CID 170020181

IUPAC[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OC(C(=O)c1cccc(OC)c1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21NO6/c1-20-19(22)26-18(13-9-15(24-3)11-16(10-13)25-4)17(21)12-6-5-7-14(8-12)23-2/h5-11,18H,1-4H3,(H,20,22)
InChIKeyPDCUQBPRPLKGSV-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.99
Rot. Bonds7

About [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate

[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate (PubChem CID 170020181) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate
PubChem CID170020181
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OC(C(=O)c1cccc(OC)c1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21NO6/c1-20-19(22)26-18(13-9-15(24-3)11-16(10-13)25-4)17(21)12-6-5-7-14(8-12)23-2/h5-11,18H,1-4H3,(H,20,22)
InChIKeyPDCUQBPRPLKGSV-UHFFFAOYSA-N
XLogP2.99
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251
bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate (CID 170020181) is [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate is CNC(=O)OC(C(=O)c1cccc(OC)c1)c1cc(OC)cc(OC)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate?
The InChIKey is PDCUQBPRPLKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-20-19(22)26-18(13-9-15(24-3)11-16(10-13)25-4)17(21)12-6-5-7-14(8-12)23-2/h5-11,18H,1-4H3,(H,20,22).
What are the key properties of [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate?
[1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate has a molecular weight of 359.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-oxoethyl] N-methylcarbamate is sourced from PubChem (CID 170020181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).