5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide

C17H23BrN2O4 — CID 136515394

IUPAC5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(Br)o1
InChIInChI=1S/C17H23BrN2O4/c18-14-6-5-13(24-14)16(22)19-11-15(21)20-9-10-23-17(12-20)7-3-1-2-4-8-17/h5-6H,1-4,7-12H2,(H,19,22)
InChIKeyJCUHXRJAEOVPMU-UHFFFAOYSA-N
MW399.29 g/mol
LogP2.72
Rot. Bonds3

About 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 136515394) has the molecular formula C17H23BrN2O4 and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
PubChem CID136515394
Molecular FormulaC17H23BrN2O4
Molecular Weight399.29 g/mol
Exact Mass398.08
IUPAC Name5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(Br)o1
InChIInChI=1S/C17H23BrN2O4/c18-14-6-5-13(24-14)16(22)19-11-15(21)20-9-10-23-17(12-20)7-3-1-2-4-8-17/h5-6H,1-4,7-12H2,(H,19,22)
InChIKeyJCUHXRJAEOVPMU-UHFFFAOYSA-N
XLogP2.72
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 115875368
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771100
2-[(6-chloropyridazin-3-yl)amino]-1-(1-oxa-4-azaspiro[5.5]undecan-4-yl)ethanone
CID 122134876
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide (CID 136515394) is 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCOC2(CCCCCC2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is JCUHXRJAEOVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O4/c18-14-6-5-13(24-14)16(22)19-11-15(21)20-9-10-23-17(12-20)7-3-1-2-4-8-17/h5-6H,1-4,7-12H2,(H,19,22).
What are the key properties of 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 136515394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).