propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate

C18H19NO3 — CID 718345

IUPACpropan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-12(2)22-18(21)15-8-10-16(11-9-15)19-17(20)14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,19,20)
InChIKeyXAGIJVNXAIUYEN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.81
Rot. Bonds4

About propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate

propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate (PubChem CID 718345) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
PubChem CID718345
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namepropan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-12(2)22-18(21)15-8-10-16(11-9-15)19-17(20)14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,19,20)
InChIKeyXAGIJVNXAIUYEN-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
(2S,3R)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoic acid
CID 126383590

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate (CID 718345) is propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is XAGIJVNXAIUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(2)22-18(21)15-8-10-16(11-9-15)19-17(20)14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H,19,20).
What are the key properties of propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate?
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 718345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).