methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C21H22N2O4 — CID 108975598

IUPACmethyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H22N2O4/c1-23(14-15-8-4-3-5-9-15)20(26)21(12-13-21)19(25)22-17-11-7-6-10-16(17)18(24)27-2/h3-11H,12-14H2,1-2H3,(H,22,25)
InChIKeyUIPRCZIFLCXMBR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.85
Rot. Bonds6

About methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 108975598) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID108975598
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H22N2O4/c1-23(14-15-8-4-3-5-9-15)20(26)21(12-13-21)19(25)22-17-11-7-6-10-16(17)18(24)27-2/h3-11H,12-14H2,1-2H3,(H,22,25)
InChIKeyUIPRCZIFLCXMBR-UHFFFAOYSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108972080
methyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976373
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
methyl 2-[[1-(1,3-benzodioxol-5-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108983501
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 108975598) is methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is UIPRCZIFLCXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23(14-15-8-4-3-5-9-15)20(26)21(12-13-21)19(25)22-17-11-7-6-10-16(17)18(24)27-2/h3-11H,12-14H2,1-2H3,(H,22,25).
What are the key properties of methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 366.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108975598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).