methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate

C15H19NO2 — CID 115618836

IUPACmethyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1C=CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14,16H,3,7,11H2,1H3
InChIKeyDLYFYUNJWZYHRF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate

methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate (PubChem CID 115618836) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
PubChem CID115618836
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
SMILESCOC(=O)C(NC1C=CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14,16H,3,7,11H2,1H3
InChIKeyDLYFYUNJWZYHRF-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate (CID 115618836) is methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate is COC(=O)C(NC1C=CCCC1)c1ccccc1.
What is the InChIKey of methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate?
The InChIKey is DLYFYUNJWZYHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2,4-6,8-10,13-14,16H,3,7,11H2,1H3.
What are the key properties of methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate?
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate has a molecular weight of 245.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate is sourced from PubChem (CID 115618836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).