2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C24H35N5O3 — CID 130200514

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C24H35N5O3/c1-26-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-28(16-21(31)27-14-20(25)30)22(32)29(23)15-18-6-5-7-18/h2-4,8-9,18,26H,5-7,10-17H2,1H3,(H2,25,30)(H,27,31)
InChIKeyMPJFXCUUVTWQST-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.55
Rot. Bonds8

About 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 130200514) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID130200514
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C24H35N5O3/c1-26-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-28(16-21(31)27-14-20(25)30)22(32)29(23)15-18-6-5-7-18/h2-4,8-9,18,26H,5-7,10-17H2,1H3,(H2,25,30)(H,27,31)
InChIKeyMPJFXCUUVTWQST-UHFFFAOYSA-N
XLogP1.55
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130201022
2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130249867
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
N-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130200929
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 130200911
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
CID 130249487
2-[[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]amino]-2-methylpropanamide
CID 130200569
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 130200641
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide
CID 130200776
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 130200514) is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is MPJFXCUUVTWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-26-24(19-8-3-2-4-9-19)12-10-23(11-13-24)17-28(16-21(31)27-14-20(25)30)22(32)29(23)15-18-6-5-7-18/h2-4,8-9,18,26H,5-7,10-17H2,1H3,(H2,25,30)(H,27,31).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 441.58 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 130200514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).