N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

C26H32N4O4 — CID 42771956

IUPACN-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCOCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N(C)Cc1ccccc1)CN2c1ccccc1
InChIInChI=1S/C26H32N4O4/c1-27(17-21-9-5-3-6-10-21)23(31)18-29-20-30(22-11-7-4-8-12-22)26(25(29)33)13-15-28(16-14-26)24(32)19-34-2/h3-12H,13-20H2,1-2H3
InChIKeyDWYYVQOESODNCP-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.96
Rot. Bonds7

About N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 42771956) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID42771956
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCOCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N(C)Cc1ccccc1)CN2c1ccccc1
InChIInChI=1S/C26H32N4O4/c1-27(17-21-9-5-3-6-10-21)23(31)18-29-20-30(22-11-7-4-8-12-22)26(25(29)33)13-15-28(16-14-26)24(32)19-34-2/h3-12H,13-20H2,1-2H3
InChIKeyDWYYVQOESODNCP-UHFFFAOYSA-N
XLogP1.96
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[8-(furan-2-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4093931
N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 3489356
3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24717134
N-benzyl-2-[8-(2-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4058555
8-(2-methoxyacetyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42771946
N-benzyl-2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4089757
N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5191624
N-benzyl-2-[8-[3,5-bis(trifluoromethyl)benzoyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 3431759
N-[(2R)-butan-2-yl]-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 7218679
N-benzyl-2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4609927
3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 5157042
N-benzyl-2-[8-(2,5-dichlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4132617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 42771956) is N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide is COCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N(C)Cc1ccccc1)CN2c1ccccc1.
What is the InChIKey of N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is DWYYVQOESODNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-27(17-21-9-5-3-6-10-21)23(31)18-29-20-30(22-11-7-4-8-12-22)26(25(29)33)13-15-28(16-14-26)24(32)19-34-2/h3-12H,13-20H2,1-2H3.
What are the key properties of N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?
N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 464.57 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[8-(2-methoxyacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 42771956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).