9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

C22H27N3O4 — CID 3234137

IUPAC9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-6-4-17(5-7-18)23-21(27)25-14-10-22(11-15-25)8-12-24(13-9-22)20(26)19-3-2-16-29-19/h2-7,16H,8-15H2,1H3,(H,23,27)
InChIKeyMXXFGUWONXBGDS-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.84
Rot. Bonds3

About 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 3234137) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID3234137
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-6-4-17(5-7-18)23-21(27)25-14-10-22(11-15-25)8-12-24(13-9-22)20(26)19-3-2-16-29-19/h2-7,16H,8-15H2,1H3,(H,23,27)
InChIKeyMXXFGUWONXBGDS-UHFFFAOYSA-N
XLogP3.84
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
N-[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7405790
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 3234137) is 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccco2)CC3)cc1.
What is the InChIKey of 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is MXXFGUWONXBGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-18-6-4-17(5-7-18)23-21(27)25-14-10-22(11-15-25)8-12-24(13-9-22)20(26)19-3-2-16-29-19/h2-7,16H,8-15H2,1H3,(H,23,27).
What are the key properties of 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 3234137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).