(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate

C18H18N2O4 — CID 110670540

IUPAC(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-3-9-16(10-4-12)24-17(22)11-19-18(23)14-5-7-15(8-6-14)20-13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyUDQWJIWHYFWQRW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.29
Rot. Bonds5

About (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate

(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate (PubChem CID 110670540) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
PubChem CID110670540
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-3-9-16(10-4-12)24-17(22)11-19-18(23)14-5-7-15(8-6-14)20-13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyUDQWJIWHYFWQRW-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
bis(4-acetamidophenyl) propanedioate
CID 58435595
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-(4-methylphenyl)acetamide
CID 7684
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate?
The IUPAC name of (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate (CID 110670540) is (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate.
What is the SMILES notation for (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate?
The canonical SMILES for (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate is CC(=O)Nc1ccc(C(=O)NCC(=O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate?
The InChIKey is UDQWJIWHYFWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-3-9-16(10-4-12)24-17(22)11-19-18(23)14-5-7-15(8-6-14)20-13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate?
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate has a molecular weight of 326.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate is sourced from PubChem (CID 110670540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).