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

C27H41N5O3 — CID 130201022

IUPACN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H41N5O3/c1-25(2,23(34)30-16-22(28)33)18-31-19-26(32(24(31)35)17-20-8-7-9-20)12-14-27(29-3,15-13-26)21-10-5-4-6-11-21/h4-6,10-11,20,29H,7-9,12-19H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyQLFNECQENPMPBT-UHFFFAOYSA-N
MW483.66 g/mol
LogP2.58
Rot. Bonds9

About 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

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 (PubChem CID 130201022) has the molecular formula C27H41N5O3 and a molecular weight of 483.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130201022
Molecular FormulaC27H41N5O3
Molecular Weight483.66 g/mol
Exact Mass483.32
IUPAC NameN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C27H41N5O3/c1-25(2,23(34)30-16-22(28)33)18-31-19-26(32(24(31)35)17-20-8-7-9-20)12-14-27(29-3,15-13-26)21-10-5-4-6-11-21/h4-6,10-11,20,29H,7-9,12-19H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyQLFNECQENPMPBT-UHFFFAOYSA-N
XLogP2.58
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
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-[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-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
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
1-[1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]pyrrolidine-2,5-dione
CID 130202953
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-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
methyl 2-[[1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-8-yl]methylamino]acetate
CID 130202364
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 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?
The InChIKey is QLFNECQENPMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-25(2,23(34)30-16-22(28)33)18-31-19-26(32(24(31)35)17-20-8-7-9-20)12-14-27(29-3,15-13-26)21-10-5-4-6-11-21/h4-6,10-11,20,29H,7-9,12-19H2,1-3H3,(H2,28,33)(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 483.66 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130201022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).