N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C14H19BrN2O3 — CID 86771100

IUPACN-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCCc1ccc(Br)o1)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-2-11(20-12)4-7-16-13(18)17-8-9-19-14(10-17)5-1-6-14/h2-3H,1,4-10H2,(H,16,18)
InChIKeyMVPAYMQZUBQTIF-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 86771100) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID86771100
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCCc1ccc(Br)o1)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-2-11(20-12)4-7-16-13(18)17-8-9-19-14(10-17)5-1-6-14/h2-3H,1,4-10H2,(H,16,18)
InChIKeyMVPAYMQZUBQTIF-UHFFFAOYSA-N
XLogP2.55
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
CID 136515394
N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771103
N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234226
N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234225
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771105
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138010392
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 86771100) is N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(NCCc1ccc(Br)o1)N1CCOC2(CCC2)C1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is MVPAYMQZUBQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-12-3-2-11(20-12)4-7-16-13(18)17-8-9-19-14(10-17)5-1-6-14/h2-3H,1,4-10H2,(H,16,18).
What are the key properties of N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 86771100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).