(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C24H28N2O2 — CID 97194947

IUPAC(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)c1
InChIInChI=1S/C24H28N2O2/c1-18-7-6-10-20(15-18)22(27)26-13-11-24(12-14-26)16-21(23(28)25(2)17-24)19-8-4-3-5-9-19/h3-10,15,21H,11-14,16-17H2,1-2H3/t21-/m0/s1
InChIKeyIYEHXEHWTSMVDK-NRFANRHFSA-N
MW376.50 g/mol
LogP3.86
Rot. Bonds2

About (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97194947) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97194947
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)c1
InChIInChI=1S/C24H28N2O2/c1-18-7-6-10-20(15-18)22(27)26-13-11-24(12-14-26)16-21(23(28)25(2)17-24)19-8-4-3-5-9-19/h3-10,15,21H,11-14,16-17H2,1-2H3/t21-/m0/s1
InChIKeyIYEHXEHWTSMVDK-NRFANRHFSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125009214
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97194947) is (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)c1.
What is the InChIKey of (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IYEHXEHWTSMVDK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-18-7-6-10-20(15-18)22(27)26-13-11-24(12-14-26)16-21(23(28)25(2)17-24)19-8-4-3-5-9-19/h3-10,15,21H,11-14,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97194947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).