N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C18H26N2O3 — CID 94816549

IUPACN-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESC[C@H](CCNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-15(16-5-3-2-4-6-16)7-10-19-17(21)20-11-8-18(9-12-20)22-13-14-23-18/h2-6,15H,7-14H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIGCTWBHFDUJQTK-OAHLLOKOSA-N
MW318.42 g/mol
LogP2.73
Rot. Bonds4

About N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 94816549) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID94816549
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESC[C@H](CCNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-15(16-5-3-2-4-6-16)7-10-19-17(21)20-11-8-18(9-12-20)22-13-14-23-18/h2-6,15H,7-14H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIGCTWBHFDUJQTK-OAHLLOKOSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
4-phenyl-N-(3-phenylbutyl)-1,4-diazepane-1-carboxamide
CID 86876623
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
N-[(2R)-2-[benzyl(methyl)amino]propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 95765261
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(1-phenylethyl)propanamide
CID 108962125

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 94816549) is N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is C[C@H](CCNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is IGCTWBHFDUJQTK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-15(16-5-3-2-4-6-16)7-10-19-17(21)20-11-8-18(9-12-20)22-13-14-23-18/h2-6,15H,7-14H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 94816549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).