(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H25N3O4 — CID 3235209

IUPAC(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-17-7-5-16(6-8-17)22-20(26)24-12-10-21(15-24)9-3-11-23(14-21)19(25)18-4-2-13-28-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)/t21-/m1/s1
InChIKeyIRICYWNKQLXYIJ-OAQYLSRUSA-N
MW383.45 g/mol
LogP3.45
Rot. Bonds3

About (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3235209) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3235209
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-17-7-5-16(6-8-17)22-20(26)24-12-10-21(15-24)9-3-11-23(14-21)19(25)18-4-2-13-28-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)/t21-/m1/s1
InChIKeyIRICYWNKQLXYIJ-OAQYLSRUSA-N
XLogP3.45
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3235209) is (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1.
What is the InChIKey of (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is IRICYWNKQLXYIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-7-5-16(6-8-17)22-20(26)24-12-10-21(15-24)9-3-11-23(14-21)19(25)18-4-2-13-28-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3235209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).