N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

C26H38FN5O3 — CID 130200637

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H38FN5O3/c1-29(2)26(20-7-9-21(27)10-8-20)13-11-25(12-14-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-5-4-6-19/h7-10,19H,4-6,11-18H2,1-3H3,(H2,28,33)
InChIKeyUGPPZYZEGHLMLR-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.38
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200637) has the molecular formula C26H38FN5O3 and a molecular weight of 487.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200637
Molecular FormulaC26H38FN5O3
Molecular Weight487.62 g/mol
Exact Mass487.30
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H38FN5O3/c1-29(2)26(20-7-9-21(27)10-8-20)13-11-25(12-14-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-5-4-6-19/h7-10,19H,4-6,11-18H2,1-3H3,(H2,28,33)
InChIKeyUGPPZYZEGHLMLR-UHFFFAOYSA-N
XLogP2.38
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide with MolForge

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3245977
2-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550185
US10807989, Example SC_1346
CID 130200550
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5083
CID 130200861
US10793528, Example SC_5084
CID 130201060
(2S,4R)-1-[2-[dimethylcarbamoyl(methyl)amino]acetyl]-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165138590
(2S,4R)-N-[(R)-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-phenylmethyl]-1-[2-(dimethylcarbamoylamino)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165138916

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200637) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CN(CC(N)=O)C(=O)CN1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is UGPPZYZEGHLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN5O3/c1-29(2)26(20-7-9-21(27)10-8-20)13-11-25(12-14-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-5-4-6-19/h7-10,19H,4-6,11-18H2,1-3H3,(H2,28,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 487.62 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).