methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate

C21H25NO5 — CID 55773551

IUPACmethyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
SMILESCCC(CNC(=O)c1ccc(OCC(=O)OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-4-15(16-8-6-5-7-9-16)13-22-21(24)17-10-11-18(19(12-17)25-2)27-14-20(23)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWCMXVNUADPRERO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.17
Rot. Bonds9

About methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate

methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate (PubChem CID 55773551) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
PubChem CID55773551
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namemethyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
SMILESCCC(CNC(=O)c1ccc(OCC(=O)OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-4-15(16-8-6-5-7-9-16)13-22-21(24)17-10-11-18(19(12-17)25-2)27-14-20(23)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWCMXVNUADPRERO-UHFFFAOYSA-N
XLogP3.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548500
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate (CID 55773551) is methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate is CCC(CNC(=O)c1ccc(OCC(=O)OC)c(OC)c1)c1ccccc1.
What is the InChIKey of methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate?
The InChIKey is WCMXVNUADPRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-15(16-8-6-5-7-9-16)13-22-21(24)17-10-11-18(19(12-17)25-2)27-14-20(23)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate?
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate has a molecular weight of 371.43 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate is sourced from PubChem (CID 55773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).