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

C27H34N4O5 — CID 3992341

IUPAC2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(OC)c3)CC2)C1=O
InChIInChI=1S/C27H34N4O5/c1-35-17-7-14-28-24(32)19-30-20-31(22-9-4-3-5-10-22)27(26(30)34)12-15-29(16-13-27)25(33)21-8-6-11-23(18-21)36-2/h3-6,8-11,18H,7,12-17,19-20H2,1-2H3,(H,28,32)
InChIKeyJZEBWURCQSBDPV-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.13
Rot. Bonds9

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

2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 3992341) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
PubChem CID3992341
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(OC)c3)CC2)C1=O
InChIInChI=1S/C27H34N4O5/c1-35-17-7-14-28-24(32)19-30-20-31(22-9-4-3-5-10-22)27(26(30)34)12-15-29(16-13-27)25(33)21-8-6-11-23(18-21)36-2/h3-6,8-11,18H,7,12-17,19-20H2,1-2H3,(H,28,32)
InChIKeyJZEBWURCQSBDPV-UHFFFAOYSA-N
XLogP2.13
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.13
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

N-(3-methoxypropyl)-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4258349
N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3916702
N-[(2S)-butan-2-yl]-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 92518190
2-[8-(2-fluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide
CID 5149743
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
2-[8-(3,5-difluorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-ethoxypropyl)acetamide
CID 42778590
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-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
CID 5025550
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 5067912
2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 5032326
2-[8-(3,5-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methylphenyl)acetamide
CID 4302813
N-(3-ethoxypropyl)-2-[8-(4-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42773672

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide (CID 3992341) is 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(OC)c3)CC2)C1=O.
What is the InChIKey of 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is JZEBWURCQSBDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-35-17-7-14-28-24(32)19-30-20-31(22-9-4-3-5-10-22)27(26(30)34)12-15-29(16-13-27)25(33)21-8-6-11-23(18-21)36-2/h3-6,8-11,18H,7,12-17,19-20H2,1-2H3,(H,28,32).
What are the key properties of 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide?
2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 494.59 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 3992341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).