2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide

C21H30N4O2 — CID 137407643

IUPAC2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC(N)=O)C(=O)N2CC2CCC2)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)21(17-9-4-3-5-10-17)13-20(14-21)15-24(12-18(22)26)19(27)25(20)11-16-7-6-8-16/h3-5,9-10,16H,6-8,11-15H2,1-2H3,(H2,22,26)
InChIKeyPRQAGLZFTAKDIU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.00
Rot. Bonds6

About 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide

2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide (PubChem CID 137407643) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide.

Molecular Properties

Compound Name2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
PubChem CID137407643
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC(N)=O)C(=O)N2CC2CCC2)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)21(17-9-4-3-5-10-17)13-20(14-21)15-24(12-18(22)26)19(27)25(20)11-16-7-6-8-16/h3-5,9-10,16H,6-8,11-15H2,1-2H3,(H2,22,26)
InChIKeyPRQAGLZFTAKDIU-UHFFFAOYSA-N
XLogP2.00
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide with MolForge

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Related Compounds

US10807989, Example SC_1349
CID 130200783
4-(2-amino-2-oxoethyl)-N-[1-(3-isopropenylphenyl)-1-methylethyl]-1-piperazinecarboxamide
CID 753260
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2326268
N-benzyl-2-[3-(2-methylbenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3241715
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 9551928
(2R,5S)-1-(2-(1-phenylcyclobutylamino)acetyl)pyrrolidine-2,5-dicarbonitrile
CID 11565791
3-[(4-Propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4798289
Hydantoin, 3-benzyl-5,5-dimethyl-
CID 141912
US10807989, Example SC_1360
CID 130200637
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide?
The IUPAC name of 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide (CID 137407643) is 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide.
What is the SMILES notation for 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide?
The canonical SMILES for 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide is CN(C)C1(c2ccccc2)CC2(CN(CC(N)=O)C(=O)N2CC2CCC2)C1.
What is the InChIKey of 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide?
The InChIKey is PRQAGLZFTAKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(2)21(17-9-4-3-5-10-17)13-20(14-21)15-24(12-18(22)26)19(27)25(20)11-16-7-6-8-16/h3-5,9-10,16H,6-8,11-15H2,1-2H3,(H2,22,26).
What are the key properties of 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide?
2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]acetamide is sourced from PubChem (CID 137407643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).