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

C28H43N5O3 — CID 130200929

IUPACN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H43N5O3/c1-26(2,24(35)30-17-23(29)34)19-32-20-27(33(25(32)36)18-21-9-8-10-21)13-15-28(16-14-27,31(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H2,29,34)(H,30,35)
InChIKeyFJRVNIAFJKDOHQ-UHFFFAOYSA-N
MW497.68 g/mol
LogP2.92
Rot. Bonds9

About 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

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 (PubChem CID 130200929) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130200929
Molecular FormulaC28H43N5O3
Molecular Weight497.68 g/mol
Exact Mass497.34
IUPAC NameN-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H43N5O3/c1-26(2,24(35)30-17-23(29)34)19-32-20-27(33(25(32)36)18-21-9-8-10-21)13-15-28(16-14-27,31(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H2,29,34)(H,30,35)
InChIKeyFJRVNIAFJKDOHQ-UHFFFAOYSA-N
XLogP2.92
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C1(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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is FJRVNIAFJKDOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-26(2,24(35)30-17-23(29)34)19-32-20-27(33(25(32)36)18-21-9-8-10-21)13-15-28(16-14-27,31(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H2,29,34)(H,30,35).
What are the key properties of 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?
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 has a molecular weight of 497.68 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130200929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).