9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione

C22H24N2O4 — CID 162403264

IUPAC9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESCC(C)C1N(C)C(=O)OC12OC(c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(2)19-22(28-21(26)23(19)3)24(14-16-10-6-4-7-11-16)20(25)18(27-22)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3
InChIKeyWFIXMTBJCRSYKC-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.55
Rot. Bonds4

About 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione

9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (PubChem CID 162403264) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
PubChem CID162403264
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione
SMILESCC(C)C1N(C)C(=O)OC12OC(c1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(2)19-22(28-21(26)23(19)3)24(14-16-10-6-4-7-11-16)20(25)18(27-22)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3
InChIKeyWFIXMTBJCRSYKC-UHFFFAOYSA-N
XLogP3.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 272805
3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
CID 134945067
2-[4-(Diphenylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2933486
(4R,5S)-4-methyl-5-phenyl-3-phenylacetyl-oxazolidin-2-one
CID 11748453
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
(6Z)-4-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[4-(trifluoromethyl)phenyl]-5,8-dihydro-1,4-oxazocin-3-one
CID 20756541
(6Z)-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]-5,8-dihydro-1,4-oxazocin-3-one
CID 22573220
(S)-3-{4-[2-(4-fluorophenyl)-[1,3]-dioxolan-2-yl]butyryl}-4-phenyloxazolidin-2-one
CID 24983530
4-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[4-(trifluoromethyl)phenyl]-5,8-dihydro-1,4-oxazocin-3-one
CID 69731466
benzyl (4S)-4-(4-fluorophenyl)-5-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145818299
benzyl (4S)-4-(2-fluorophenyl)-5-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145818301
3-Cyclohexyl-5-phenyl-1,3-oxazolidine-2,4-dione
CID 11032597

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The IUPAC name of 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione (CID 162403264) is 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is CC(C)C1N(C)C(=O)OC12OC(c1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
The InChIKey is WFIXMTBJCRSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)19-22(28-21(26)23(19)3)24(14-16-10-6-4-7-11-16)20(25)18(27-22)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3.
What are the key properties of 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione?
9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione has a molecular weight of 380.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-methyl-7-phenyl-4-propan-2-yl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 162403264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).