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

C26H38FN5O3 — CID 130200783

IUPACN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H38FN5O3/c1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19/h5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33)
InChIKeyOYHQOPIJPIGUSX-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.38
Rot. Bonds8

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

N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200783) 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-(3-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-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200783
Molecular FormulaC26H38FN5O3
Molecular Weight487.62 g/mol
Exact Mass487.30
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C26H38FN5O3/c1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19/h5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33)
InChIKeyOYHQOPIJPIGUSX-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-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-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-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200783) is N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-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-(3-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-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CN(CC(N)=O)C(=O)CN1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is OYHQOPIJPIGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN5O3/c1-29(2)26(20-8-5-9-21(27)14-20)12-10-25(11-13-26)18-31(17-23(34)30(3)16-22(28)33)24(35)32(25)15-19-6-4-7-19/h5,8-9,14,19H,4,6-7,10-13,15-18H2,1-3H3,(H2,28,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-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-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).