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

C25H38N4O4 — CID 42773682

IUPACN-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CC(C)C)CC2)C1=O
InChIInChI=1S/C25H38N4O4/c1-4-33-16-8-13-26-22(30)18-28-19-29(21-9-6-5-7-10-21)25(24(28)32)11-14-27(15-12-25)23(31)17-20(2)3/h5-7,9-10,20H,4,8,11-19H2,1-3H3,(H,26,30)
InChIKeyGBSLQAVVBZOQHG-UHFFFAOYSA-N
MW458.60 g/mol
LogP2.24
Rot. Bonds10

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

N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 42773682) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID42773682
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC NameN-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CC(C)C)CC2)C1=O
InChIInChI=1S/C25H38N4O4/c1-4-33-16-8-13-26-22(30)18-28-19-29(21-9-6-5-7-10-21)25(24(28)32)11-14-27(15-12-25)23(31)17-20(2)3/h5-7,9-10,20H,4,8,11-19H2,1-3H3,(H,26,30)
InChIKeyGBSLQAVVBZOQHG-UHFFFAOYSA-N
XLogP2.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
N-(3-ethoxypropyl)-2-[8-(2-methylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3963552
2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
CID 42778590
2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 4517571
N-(3-ethoxypropyl)-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773672
N-[(4-fluorophenyl)methyl]-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5012251
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42766501
N-(2-methoxyethyl)-2-[4-oxo-8-(2-phenoxyacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5135762
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 5149743
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-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 42773682) is N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CC(C)C)CC2)C1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is GBSLQAVVBZOQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-4-33-16-8-13-26-22(30)18-28-19-29(21-9-6-5-7-10-21)25(24(28)32)11-14-27(15-12-25)23(31)17-20(2)3/h5-7,9-10,20H,4,8,11-19H2,1-3H3,(H,26,30).
What are the key properties of N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 458.60 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 42773682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).