2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C27H34N4O5 — CID 42766466

IUPAC2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CN(c3ccccc3)C3(CCN(C(C)=O)CC3)C2=O)cc1OC
InChIInChI=1S/C27H34N4O5/c1-20(32)29-15-12-27(13-16-29)26(34)30(19-31(27)22-7-5-4-6-8-22)18-25(33)28-14-11-21-9-10-23(35-2)24(17-21)36-3/h4-10,17H,11-16,18-19H2,1-3H3,(H,28,33)
InChIKeyNDOCVLXCBKPKAQ-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.05
Rot. Bonds8

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

2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 42766466) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID42766466
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CN(c3ccccc3)C3(CCN(C(C)=O)CC3)C2=O)cc1OC
InChIInChI=1S/C27H34N4O5/c1-20(32)29-15-12-27(13-16-29)26(34)30(19-31(27)22-7-5-4-6-8-22)18-25(33)28-14-11-21-9-10-23(35-2)24(17-21)36-3/h4-10,17H,11-16,18-19H2,1-3H3,(H,28,33)
InChIKeyNDOCVLXCBKPKAQ-UHFFFAOYSA-N
XLogP2.05
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3877506
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-naphthalen-2-ylsulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4620129
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-benzyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5227394
N-(2,4-dimethylphenyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4295021
N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5228288
2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)acetamide
CID 3608716
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
N-[2-(2-methoxyphenyl)ethyl]-2-[8-(4-methoxyphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5017235
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-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 5001522
2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3914466

Frequently Asked Questions

What is the IUPAC name of 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 42766466) is 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2CN(c3ccccc3)C3(CCN(C(C)=O)CC3)C2=O)cc1OC.
What is the InChIKey of 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is NDOCVLXCBKPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-20(32)29-15-12-27(13-16-29)26(34)30(19-31(27)22-7-5-4-6-8-22)18-25(33)28-14-11-21-9-10-23(35-2)24(17-21)36-3/h4-10,17H,11-16,18-19H2,1-3H3,(H,28,33).
What are the key properties of 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 494.59 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-acetyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42766466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).