methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C23H26N2O4 — CID 109142538

IUPACmethyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-13(2)17-7-5-6-14(3)20(17)25-22(27)19-12-18(19)21(26)24-16-10-8-15(9-11-16)23(28)29-4/h5-11,13,18-19H,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOHLPJABNOCQTAK-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.12
Rot. Bonds6

About methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109142538) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109142538
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-13(2)17-7-5-6-14(3)20(17)25-22(27)19-12-18(19)21(26)24-16-10-8-15(9-11-16)23(28)29-4/h5-11,13,18-19H,12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOHLPJABNOCQTAK-UHFFFAOYSA-N
XLogP4.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008109
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142553
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138011
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109142538) is methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is OHLPJABNOCQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-13(2)17-7-5-6-14(3)20(17)25-22(27)19-12-18(19)21(26)24-16-10-8-15(9-11-16)23(28)29-4/h5-11,13,18-19H,12H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109142538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).