ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate

C19H21NO4 — CID 23453048

IUPACethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-18(21)12-14-6-8-15(9-7-14)20-19(22)16-11-13(2)5-10-17(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyOHLNRJPEDDIJHW-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate

ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate (PubChem CID 23453048) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
PubChem CID23453048
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-18(21)12-14-6-8-15(9-7-14)20-19(22)16-11-13(2)5-10-17(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyOHLNRJPEDDIJHW-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
CID 31146550
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
ethyl 2-[4-[3-(2,6-dimethoxyphenyl)propanoylamino]phenyl]acetate
CID 100789290
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate (CID 23453048) is ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate?
The InChIKey is OHLNRJPEDDIJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-18(21)12-14-6-8-15(9-7-14)20-19(22)16-11-13(2)5-10-17(16)23-3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate?
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate has a molecular weight of 327.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate is sourced from PubChem (CID 23453048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).