(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C26H30N2O4 — CID 124970717

IUPAC(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCc1cccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)c1
InChIInChI=1S/C26H30N2O4/c1-20-6-5-7-21(16-20)26(11-14-31-15-12-26)24(30)27-13-10-25(18-27)19-28(23(29)17-32-25)22-8-3-2-4-9-22/h2-9,16H,10-15,17-19H2,1H3/t25-/m1/s1
InChIKeyJRXUGOSJLYJBFY-RUZDIDTESA-N
MW434.54 g/mol
LogP3.08
Rot. Bonds3

About (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 124970717) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID124970717
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCc1cccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)c1
InChIInChI=1S/C26H30N2O4/c1-20-6-5-7-21(16-20)26(11-14-31-15-12-26)24(30)27-13-10-25(18-27)19-28(23(29)17-32-25)22-8-3-2-4-9-22/h2-9,16H,10-15,17-19H2,1H3/t25-/m1/s1
InChIKeyJRXUGOSJLYJBFY-RUZDIDTESA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 129454830
[3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 110150540
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
(5S)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979077
7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110149486
(5R)-7-[4-(4-methoxyphenyl)oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 124979078
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
8-(4-methylthiophene-2-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999528
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 124970717) is (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is Cc1cccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)c1.
What is the InChIKey of (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is JRXUGOSJLYJBFY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O4/c1-20-6-5-7-21(16-20)26(11-14-31-15-12-26)24(30)27-13-10-25(18-27)19-28(23(29)17-32-25)22-8-3-2-4-9-22/h2-9,16H,10-15,17-19H2,1H3/t25-/m1/s1.
What are the key properties of (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 434.54 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 124970717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).