7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C22H31N3O2 — CID 72903089

IUPAC7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-23(19-9-3-2-4-10-19)16-20(26)25-14-12-22(17-25)11-6-13-24(21(22)27)15-18-7-5-8-18/h2-4,9-10,18H,5-8,11-17H2,1H3
InChIKeyHVGDXWXCILJOKH-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.76
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72903089) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72903089
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-23(19-9-3-2-4-10-19)16-20(26)25-14-12-22(17-25)11-6-13-24(21(22)27)15-18-7-5-8-18/h2-4,9-10,18H,5-8,11-17H2,1H3
InChIKeyHVGDXWXCILJOKH-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
7-(2-methoxyethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898036
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
7-(cyclobutylmethyl)-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939680
(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97120619
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72903089) is 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one is CN(CC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HVGDXWXCILJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23(19-9-3-2-4-10-19)16-20(26)25-14-12-22(17-25)11-6-13-24(21(22)27)15-18-7-5-8-18/h2-4,9-10,18H,5-8,11-17H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72903089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).