(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

C19H21NO4 — CID 7882414

IUPAC(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-7-8-14(2)16(9-13)12-24-18(21)11-20-19(22)15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeySUPWVFNYAPNHKC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds6

About (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7882414) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7882414
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO4/c1-13-7-8-14(2)16(9-13)12-24-18(21)11-20-19(22)15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeySUPWVFNYAPNHKC-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
(2,5-dimethylphenyl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877239
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 46601597
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573952
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (CID 7882414) is (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCc2cc(C)ccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is SUPWVFNYAPNHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-7-8-14(2)16(9-13)12-24-18(21)11-20-19(22)15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 327.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7882414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).