[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C15H17NO5 — CID 24980569

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)C1CC1C
InChIInChI=1S/C15H17NO5/c1-9-7-11(9)15(19)21-8-13(17)16-14(18)10-5-3-4-6-12(10)20-2/h3-6,9,11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyWXKNBAOLIWTVTQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.15
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 24980569) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID24980569
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)C1CC1C
InChIInChI=1S/C15H17NO5/c1-9-7-11(9)15(19)21-8-13(17)16-14(18)10-5-3-4-6-12(10)20-2/h3-6,9,11H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyWXKNBAOLIWTVTQ-UHFFFAOYSA-N
XLogP1.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 12358988
Mersalyl
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[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury;hydrate
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2-{[(2-Methoxy-1-methylethyl)amino]carbonyl}phenyl acetate
CID 2905306
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(2-ethoxybenzoyl)amino]acetate
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[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2428833
2-[2-[Bis(2-methylpropyl)amino]-2-oxoethoxy]benzamide
CID 2601512
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
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[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 24980569) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)C1CC1C.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is WXKNBAOLIWTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-7-11(9)15(19)21-8-13(17)16-14(18)10-5-3-4-6-12(10)20-2/h3-6,9,11H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 24980569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).