ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate

C20H28N2O4 — CID 56880435

IUPACethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate
SMILESCCOC(=O)CNc1ccccc1C(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-26-18(23)15-21-17-6-4-3-5-16(17)19(24)22-11-7-20(8-12-22)9-13-25-14-10-20/h3-6,21H,2,7-15H2,1H3
InChIKeyUKBLVRVKCSIOOP-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate

ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate (PubChem CID 56880435) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate
PubChem CID56880435
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate
SMILESCCOC(=O)CNc1ccccc1C(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-26-18(23)15-21-17-6-4-3-5-16(17)19(24)22-11-7-20(8-12-22)9-13-25-14-10-20/h3-6,21H,2,7-15H2,1H3
InChIKeyUKBLVRVKCSIOOP-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 86930964
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
2-[2-(morpholine-4-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 32996630
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
ethyl 2-(2-ethylanilino)acetate
CID 28583397
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate?
The IUPAC name of ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate (CID 56880435) is ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate?
The canonical SMILES for ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate is CCOC(=O)CNc1ccccc1C(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate?
The InChIKey is UKBLVRVKCSIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-26-18(23)15-21-17-6-4-3-5-16(17)19(24)22-11-7-20(8-12-22)9-13-25-14-10-20/h3-6,21H,2,7-15H2,1H3.
What are the key properties of ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate?
ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate has a molecular weight of 360.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate is sourced from PubChem (CID 56880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).