methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C23H26N2O4 — CID 109142583

IUPACmethyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-23(2,3)18-7-5-6-8-19(18)25-21(27)17-13-16(17)20(26)24-15-11-9-14(10-12-15)22(28)29-4/h5-12,16-17H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQXHQXWOLSWGHFZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109142583) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109142583
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-23(2,3)18-7-5-6-8-19(18)25-21(27)17-13-16(17)20(26)24-15-11-9-14(10-12-15)22(28)29-4/h5-12,16-17H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQXHQXWOLSWGHFZ-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142955
2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142602
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
2-N-(2-tert-butylphenyl)-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142222
methyl 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142383

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109142583) is methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is QXHQXWOLSWGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2,3)18-7-5-6-8-19(18)25-21(27)17-13-16(17)20(26)24-15-11-9-14(10-12-15)22(28)29-4/h5-12,16-17H,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109142583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).