N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide

C20H28N2O4 — CID 56876543

IUPACN-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-16(23)21-10-15-26-18-4-2-17(3-5-18)19(24)22-11-6-20(7-12-22)8-13-25-14-9-20/h2-5H,6-15H2,1H3,(H,21,23)
InChIKeyMIXHTTOXWIOISO-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.23
Rot. Bonds5

About N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide

N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide (PubChem CID 56876543) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
PubChem CID56876543
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-16(23)21-10-15-26-18-4-2-17(3-5-18)19(24)22-11-6-20(7-12-22)8-13-25-14-9-20/h2-5H,6-15H2,1H3,(H,21,23)
InChIKeyMIXHTTOXWIOISO-UHFFFAOYSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
CID 56880091
N-[2-[4-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenoxy]ethyl]acetamide
CID 97148392
[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 56863583
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
CID 136538070
4-[2-[(4-hydroxyoxan-4-yl)methylamino]ethoxy]benzoic acid
CID 103257012
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenoxy)ethyl]-3-oxopropanamide
CID 108949993
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide (CID 56876543) is N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1.
What is the InChIKey of N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide?
The InChIKey is MIXHTTOXWIOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-16(23)21-10-15-26-18-4-2-17(3-5-18)19(24)22-11-6-20(7-12-22)8-13-25-14-9-20/h2-5H,6-15H2,1H3,(H,21,23).
What are the key properties of N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide?
N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 56876543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).