methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate

C19H22N2O3 — CID 23963869

IUPACmethyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,13-14-9-5-4-6-10-14)21-18(23)20-16-12-8-7-11-15(16)17(22)24-3/h4-12H,13H2,1-3H3,(H2,20,21,23)
InChIKeyGQTPPWLNFGRXFL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.62
Rot. Bonds5

About methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate

methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate (PubChem CID 23963869) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
PubChem CID23963869
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,13-14-9-5-4-6-10-14)21-18(23)20-16-12-8-7-11-15(16)17(22)24-3/h4-12H,13H2,1-3H3,(H2,20,21,23)
InChIKeyGQTPPWLNFGRXFL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3813760
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methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
4-[2-[(2-methoxycarbonylphenyl)carbamoylamino]ethyl]benzoic acid
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methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-[[3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108963306

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate (CID 23963869) is methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)NC(C)(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate?
The InChIKey is GQTPPWLNFGRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,13-14-9-5-4-6-10-14)21-18(23)20-16-12-8-7-11-15(16)17(22)24-3/h4-12H,13H2,1-3H3,(H2,20,21,23).
What are the key properties of methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate?
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate is sourced from PubChem (CID 23963869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).