4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C26H26N4O3 — CID 24735797

IUPAC4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C26H26N4O3/c31-24-26(30(19-27-24)20-9-3-1-4-10-20)15-17-29(18-16-26)25(32)28-22-13-7-8-14-23(22)33-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,31)(H,28,32)
InChIKeyPVRCLGVRFUUGCE-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.44
Rot. Bonds4

About 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 24735797) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID24735797
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C26H26N4O3/c31-24-26(30(19-27-24)20-9-3-1-4-10-20)15-17-29(18-16-26)25(32)28-22-13-7-8-14-23(22)33-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,31)(H,28,32)
InChIKeyPVRCLGVRFUUGCE-UHFFFAOYSA-N
XLogP4.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
N-(2-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbothioamide
CID 3745737
N-(2-cyanophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 24735773
4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138381896
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 22559572
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
N-(4-chlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 25038993
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 24735797) is 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is PVRCLGVRFUUGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-24-26(30(19-27-24)20-9-3-1-4-10-20)15-17-29(18-16-26)25(32)28-22-13-7-8-14-23(22)33-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,27,31)(H,28,32).
What are the key properties of 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24735797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).