N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C26H32N4O5 — CID 5135762

IUPACN-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H32N4O5/c1-34-17-14-27-23(31)18-29-20-30(21-8-4-2-5-9-21)26(25(29)33)12-15-28(16-13-26)24(32)19-35-22-10-6-3-7-11-22/h2-11H,12-20H2,1H3,(H,27,31)
InChIKeyRWGDGYVYXXBJFT-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.50
Rot. Bonds9

About N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 5135762) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID5135762
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H32N4O5/c1-34-17-14-27-23(31)18-29-20-30(21-8-4-2-5-9-21)26(25(29)33)12-15-28(16-13-26)24(32)19-35-22-10-6-3-7-11-22/h2-11H,12-20H2,1H3,(H,27,31)
InChIKeyRWGDGYVYXXBJFT-UHFFFAOYSA-N
XLogP1.50
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 3992341
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
2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
CID 5025550
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 5149743
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773682
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
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-[2-(2-methoxyphenyl)ethyl]-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3637217
N-(3-methoxypropyl)-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4258349
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 5135762) is N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COc3ccccc3)CC2)C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is RWGDGYVYXXBJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-34-17-14-27-23(31)18-29-20-30(21-8-4-2-5-9-21)26(25(29)33)12-15-28(16-13-26)24(32)19-35-22-10-6-3-7-11-22/h2-11H,12-20H2,1H3,(H,27,31).
What are the key properties of N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 480.57 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 5135762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).