2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C24H31N3O2 — CID 137407638

IUPAC2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C24H31N3O2/c1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18/h6-13,29H,14-16H2,1-5H3,(H,25,28)
InChIKeyVCYPCZKCHATWIG-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.74
Rot. Bonds4

About 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407638) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407638
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O
InChIInChI=1S/C24H31N3O2/c1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18/h6-13,29H,14-16H2,1-5H3,(H,25,28)
InChIKeyVCYPCZKCHATWIG-UHFFFAOYSA-N
XLogP3.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
CID 130201236
8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200962
2-[2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
CID 137407639
6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile
CID 130200984
8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201282
8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methylpyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 172991670
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
CID 156757627
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201435
8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201419
methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
CID 130200971
8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201120
3-[2-(4-acetylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201548

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 137407638) is 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is Cc1cc(C(C)(C)O)ccc1N1CC2(CC(c3ccccc3)(N(C)C)C2)NC1=O.
What is the InChIKey of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is VCYPCZKCHATWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-13-19(22(2,3)29)11-12-20(17)27-16-23(25-21(27)28)14-24(15-23,26(4)5)18-9-7-6-8-10-18/h6-13,29H,14-16H2,1-5H3,(H,25,28).
What are the key properties of 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 393.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).