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

C29H44N4O3 — CID 130249487

IUPAC2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCCC(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-5-21(2)29(23-12-7-6-8-13-23)16-14-28(15-17-29)20-32(19-24(34)31-27(3,4)25(30)35)26(36)33(28)18-22-10-9-11-22/h6-8,12-13,21-22H,5,9-11,14-20H2,1-4H3,(H2,30,35)(H,31,34)
InChIKeyGELFQRQDIQNWLA-UHFFFAOYSA-N
MW496.70 g/mol
LogP4.20
Rot. Bonds9

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

2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide (PubChem CID 130249487) has the molecular formula C29H44N4O3 and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
PubChem CID130249487
Molecular FormulaC29H44N4O3
Molecular Weight496.70 g/mol
Exact Mass496.34
IUPAC Name2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide
SMILESCCC(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-5-21(2)29(23-12-7-6-8-13-23)16-14-28(15-17-29)20-32(19-24(34)31-27(3,4)25(30)35)26(36)33(28)18-22-10-9-11-22/h6-8,12-13,21-22H,5,9-11,14-20H2,1-4H3,(H2,30,35)(H,31,34)
InChIKeyGELFQRQDIQNWLA-UHFFFAOYSA-N
XLogP4.20
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide with MolForge

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Related Compounds

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-[[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-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
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-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130201022
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
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-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 130200911
1-(cyclobutylmethyl)-3-[(7E,9Z,11E)-7,9-dimethyl-2-oxopentadeca-7,9,11-trienyl]-8-pentan-2-yl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130249350
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
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-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The IUPAC name of 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) is 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide is CCC(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
The InChIKey is GELFQRQDIQNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O3/c1-5-21(2)29(23-12-7-6-8-13-23)16-14-28(15-17-29)20-32(19-24(34)31-27(3,4)25(30)35)26(36)33(28)18-22-10-9-11-22/h6-8,12-13,21-22H,5,9-11,14-20H2,1-4H3,(H2,30,35)(H,31,34).
What are the key properties of 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide?
2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide has a molecular weight of 496.70 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[8-butan-2-yl-1-(cyclobutylmethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-2-methylpropanamide is sourced from PubChem (CID 130249487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).