7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one

C25H38N2O — CID 23298903

IUPAC7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCN(C3CCCCCCCCCCC3)CC2)N1c1ccccc1
InChIInChI=1S/C25H38N2O/c28-24-21-25(27(24)23-15-11-8-12-16-23)17-19-26(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2
InChIKeyXKWQGORFUSCYNH-UHFFFAOYSA-N
MW382.59 g/mol
LogP5.93
Rot. Bonds2

About 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one

7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one (PubChem CID 23298903) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
PubChem CID23298903
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCN(C3CCCCCCCCCCC3)CC2)N1c1ccccc1
InChIInChI=1S/C25H38N2O/c28-24-21-25(27(24)23-15-11-8-12-16-23)17-19-26(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2
InChIKeyXKWQGORFUSCYNH-UHFFFAOYSA-N
XLogP5.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-7-(4-propan-2-ylcyclohexyl)-1,7-diazaspiro[3.5]nonan-2-one;hydrochloride
CID 23298886
(E)-but-2-enedioic acid;7-cyclodecyl-1-phenyl-1,7-diazaspiro[3.5]nonane
CID 23298924
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
1-cycloheptyl-4-phenylpiperazine
CID 2846720
(E)-but-2-enedioic acid;8-cyclononyl-1-phenyl-1,8-diazaspiro[4.5]decan-4-one
CID 18002539
1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
CID 142638309
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852011
1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone
CID 142638311
8-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-1-phenyl-1,8-diazaspiro[4.5]decan-4-one;(E)-but-2-enedioic acid
CID 21268360
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370

Frequently Asked Questions

What is the IUPAC name of 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one?
The IUPAC name of 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one (CID 23298903) is 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one.
What is the SMILES notation for 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one?
The canonical SMILES for 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one is O=C1CC2(CCN(C3CCCCCCCCCCC3)CC2)N1c1ccccc1.
What is the InChIKey of 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one?
The InChIKey is XKWQGORFUSCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c28-24-21-25(27(24)23-15-11-8-12-16-23)17-19-26(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2.
What are the key properties of 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one?
7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one has a molecular weight of 382.59 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one is sourced from PubChem (CID 23298903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).