methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

C18H22N2O5 — CID 109133582

IUPACmethyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)NCC1CCCO1
InChIInChI=1S/C18H22N2O5/c1-24-18(23)12-6-2-3-7-15(12)20-17(22)14-9-13(14)16(21)19-10-11-5-4-8-25-11/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCXRJNRQJMYVNKG-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.34
Rot. Bonds6

About methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate

methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109133582) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109133582
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)NCC1CCCO1
InChIInChI=1S/C18H22N2O5/c1-24-18(23)12-6-2-3-7-15(12)20-17(22)14-9-13(14)16(21)19-10-11-5-4-8-25-11/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCXRJNRQJMYVNKG-UHFFFAOYSA-N
XLogP1.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142444
methyl 2-[[2-(oxolan-2-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109300827
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate (CID 109133582) is methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC1C(=O)NCC1CCCO1.
What is the InChIKey of methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is CXRJNRQJMYVNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-24-18(23)12-6-2-3-7-15(12)20-17(22)14-9-13(14)16(21)19-10-11-5-4-8-25-11/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 346.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109133582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).