methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

C23H29NO5 — CID 55771702

IUPACmethyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC
InChIInChI=1S/C23H29NO5/c1-14(2)17-8-7-9-18(15(3)4)22(17)24-23(26)16-10-11-19(20(12-16)27-5)29-13-21(25)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26)
InChIKeyPEWCWEIPLKEJAS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.75
Rot. Bonds8

About methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55771702) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55771702
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namemethyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC
InChIInChI=1S/C23H29NO5/c1-14(2)17-8-7-9-18(15(3)4)22(17)24-23(26)16-10-11-19(20(12-16)27-5)29-13-21(25)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26)
InChIKeyPEWCWEIPLKEJAS-UHFFFAOYSA-N
XLogP4.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501137
4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
CID 21173889
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
CID 55773339
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (CID 55771702) is methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC.
What is the InChIKey of methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is PEWCWEIPLKEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-14(2)17-8-7-9-18(15(3)4)22(17)24-23(26)16-10-11-19(20(12-16)27-5)29-13-21(25)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26).
What are the key properties of methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 399.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55771702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).