N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H22N2O3 — CID 108988776

IUPACN-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h2-6,13H,7-12H2,1H3,(H,17,19)
InChIKeyBKPSDMAOHBTJPZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.30
Rot. Bonds2

About N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 108988776) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID108988776
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h2-6,13H,7-12H2,1H3,(H,17,19)
InChIKeyBKPSDMAOHBTJPZ-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(1-phenylethyl)propanamide
CID 108962125
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94816549
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(1-phenylethylamino)-3-pyridinyl]methanone
CID 109232907
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94081987

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 108988776) is N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is BKPSDMAOHBTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h2-6,13H,7-12H2,1H3,(H,17,19).
What are the key properties of N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 108988776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).