methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate

C18H20N2O3 — CID 22301794

IUPACmethyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H20N2O3/c1-12(2)13-8-4-6-10-15(13)19-18(22)20-16-11-7-5-9-14(16)17(21)23-3/h4-12H,1-3H3,(H2,19,20,22)
InChIKeyPPCNYZCFBSVJPZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.24
Rot. Bonds4

About methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate

methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate (PubChem CID 22301794) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
PubChem CID22301794
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H20N2O3/c1-12(2)13-8-4-6-10-15(13)19-18(22)20-16-11-7-5-9-14(16)17(21)23-3/h4-12H,1-3H3,(H2,19,20,22)
InChIKeyPPCNYZCFBSVJPZ-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(2-phenylpropanoylamino)benzoate
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methyl 2-(2-acetyloxypropanoylamino)benzoate
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methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
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ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
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methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
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methyl 2-(2-methylpentanoylamino)benzoate
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methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
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1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
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methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate (CID 22301794) is methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
The InChIKey is PPCNYZCFBSVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)13-8-4-6-10-15(13)19-18(22)20-16-11-7-5-9-14(16)17(21)23-3/h4-12H,1-3H3,(H2,19,20,22).
What are the key properties of methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate?
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 22301794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).