ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate

C20H21NO5 — CID 20748648

IUPACethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1C(=O)NO
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)20(12-17(20)18(22)21-24)15-8-10-16(11-9-15)26-13-14-6-4-3-5-7-14/h3-11,17,24H,2,12-13H2,1H3,(H,21,22)
InChIKeyYTBMXCKHJWLOBO-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.59
Rot. Bonds7

About ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate

ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate (PubChem CID 20748648) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
PubChem CID20748648
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1C(=O)NO
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)20(12-17(20)18(22)21-24)15-8-10-16(11-9-15)26-13-14-6-4-3-5-7-14/h3-11,17,24H,2,12-13H2,1H3,(H,21,22)
InChIKeyYTBMXCKHJWLOBO-UHFFFAOYSA-N
XLogP2.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate (CID 20748648) is ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1C(=O)NO.
What is the InChIKey of ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
The InChIKey is YTBMXCKHJWLOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-25-19(23)20(12-17(20)18(22)21-24)15-8-10-16(11-9-15)26-13-14-6-4-3-5-7-14/h3-11,17,24H,2,12-13H2,1H3,(H,21,22).
What are the key properties of ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate?
ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxycarbamoyl)-1-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 20748648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).