(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate

C19H21NO3 — CID 7957948

IUPAC(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)16-6-4-15(5-7-16)12-23-19(22)17-8-10-18(11-9-17)20-14(3)21/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCOCMJXBRNBOLFX-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.13
Rot. Bonds5

About (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate

(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate (PubChem CID 7957948) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
PubChem CID7957948
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)16-6-4-15(5-7-16)12-23-19(22)17-8-10-18(11-9-17)20-14(3)21/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCOCMJXBRNBOLFX-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
(2,3,4,5,6-pentafluorophenyl)methyl 4-acetamidobenzoate
CID 7957966
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
(4-methylsulfanylphenyl)methyl 4-(carbamoylamino)benzoate
CID 2528078

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate (CID 7957948) is (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate?
The InChIKey is COCMJXBRNBOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)16-6-4-15(5-7-16)12-23-19(22)17-8-10-18(11-9-17)20-14(3)21/h4-11,13H,12H2,1-3H3,(H,20,21).
What are the key properties of (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate?
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate has a molecular weight of 311.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 4-acetamidobenzoate is sourced from PubChem (CID 7957948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).