ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate

C19H22N2O3 — CID 108991621

IUPACethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-18(22)14-9-11-15(12-10-14)20-19(23)21-17-8-6-5-7-16(17)13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyGJXIIPLTNBUUEY-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.63
Rot. Bonds5

About ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate

ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate (PubChem CID 108991621) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
PubChem CID108991621
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-18(22)14-9-11-15(12-10-14)20-19(23)21-17-8-6-5-7-16(17)13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyGJXIIPLTNBUUEY-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[3-oxo-3-(2-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954315
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[[3-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoyl]amino]benzoate
CID 42707295
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate (CID 108991621) is ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The InChIKey is GJXIIPLTNBUUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-18(22)14-9-11-15(12-10-14)20-19(23)21-17-8-6-5-7-16(17)13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).