[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C40H38N4O4 — CID 118796579

IUPAC[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C40H38N4O4/c45-37(43-23-19-39(20-24-43)27-35(41-47-39)31-7-3-1-4-8-31)33-15-11-29(12-16-33)30-13-17-34(18-14-30)38(46)44-25-21-40(22-26-44)28-36(42-48-40)32-9-5-2-6-10-32/h1-18H,19-28H2
InChIKeyLUAFWBGRCQPKNG-UHFFFAOYSA-N
MW638.77 g/mol
LogP6.95
Rot. Bonds5

About [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 118796579) has the molecular formula C40H38N4O4 and a molecular weight of 638.77 g/mol. Its IUPAC name is [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID118796579
Molecular FormulaC40H38N4O4
Molecular Weight638.77 g/mol
Exact Mass638.29
IUPAC Name[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C40H38N4O4/c45-37(43-23-19-39(20-24-43)27-35(41-47-39)31-7-3-1-4-8-31)33-15-11-29(12-16-33)30-13-17-34(18-14-30)38(46)44-25-21-40(22-26-44)28-36(42-48-40)32-9-5-2-6-10-32/h1-18H,19-28H2
InChIKeyLUAFWBGRCQPKNG-UHFFFAOYSA-N
XLogP6.95
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

Biphenyl-4,4'-diylbis((3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6g)
CID 118796580
Biphenyl-4,4'-diylbis((3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6h)
CID 118796581
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
Phenyl-(3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134790694
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide
CID 11503265
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 11518527
(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11532693
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11568840
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
CID 11604460
(4-benzylpiperidin-1-yl)-[4-[5-methyl-5-(morpholine-4-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11627046
N-benzyl-3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11670897

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 118796579) is [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is O=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is LUAFWBGRCQPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4O4/c45-37(43-23-19-39(20-24-43)27-35(41-47-39)31-7-3-1-4-8-31)33-15-11-29(12-16-33)30-13-17-34(18-14-30)38(46)44-25-21-40(22-26-44)28-36(42-48-40)32-9-5-2-6-10-32/h1-18H,19-28H2.
What are the key properties of [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
[4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 638.77 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl)phenyl]phenyl]-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 118796579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).