(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C19H21NO4 — CID 7807817

IUPAC(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C
InChIInChI=1S/C19H21NO4/c1-3-23-17-11-7-6-10-16(17)19(22)20-12-18(21)24-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyTYMXSLIOBDWIOT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds7

About (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807817) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807817
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C
InChIInChI=1S/C19H21NO4/c1-3-23-17-11-7-6-10-16(17)19(22)20-12-18(21)24-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyTYMXSLIOBDWIOT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807783
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807784
ethyl 2-[(2-ethoxybenzoyl)carbamothioylamino]acetate
CID 18822963
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807817) is (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C.
What is the InChIKey of (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is TYMXSLIOBDWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-17-11-7-6-10-16(17)19(22)20-12-18(21)24-13-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 327.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).