2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate

C19H21NO4 — CID 46819126

IUPAC2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(21)20-13-16-3-7-17(8-4-16)19(22)24-12-11-15-5-9-18(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyBLXKTOINFOSPDW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate

2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate (PubChem CID 46819126) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
PubChem CID46819126
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(21)20-13-16-3-7-17(8-4-16)19(22)24-12-11-15-5-9-18(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyBLXKTOINFOSPDW-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
CID 18102681
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
2-[4-(benzamidomethyl)phenyl]ethyl benzoate
CID 67530892
[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195544
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 30996024

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate (CID 46819126) is 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate is COc1ccc(CCOC(=O)c2ccc(CNC(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate?
The InChIKey is BLXKTOINFOSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(21)20-13-16-3-7-17(8-4-16)19(22)24-12-11-15-5-9-18(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate?
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 46819126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).