2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide

C29H33N3O4 — CID 3578565

IUPAC2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(OC(C)C(=O)N2CCC3(CCN(C(=O)Nc4cccc5ccccc45)CC3)C2)cc1
InChIInChI=1S/C29H33N3O4/c1-21(36-24-12-10-23(35-2)11-13-24)27(33)32-19-16-29(20-32)14-17-31(18-15-29)28(34)30-26-9-5-7-22-6-3-4-8-25(22)26/h3-13,21H,14-20H2,1-2H3,(H,30,34)
InChIKeyYHLPTJIQZBUCJJ-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.16
Rot. Bonds5

About 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide

2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3578565) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3578565
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccc(OC(C)C(=O)N2CCC3(CCN(C(=O)Nc4cccc5ccccc45)CC3)C2)cc1
InChIInChI=1S/C29H33N3O4/c1-21(36-24-12-10-23(35-2)11-13-24)27(33)32-19-16-29(20-32)14-17-31(18-15-29)28(34)30-26-9-5-7-22-6-3-4-8-25(22)26/h3-13,21H,14-20H2,1-2H3,(H,30,34)
InChIKeyYHLPTJIQZBUCJJ-UHFFFAOYSA-N
XLogP5.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3823471
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
S-[(2S)-3-[8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 74227793
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3684554
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
N-naphthalen-1-yl-2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3679272
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
2-(2-methoxyethyl)-N-naphthalen-1-yl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 176504065
N-naphthalen-1-yl-2-[(1R,2S,3S,4S,6R)-5-oxotricyclo[2.2.1.02,6]heptane-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74228686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 3578565) is 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccc(OC(C)C(=O)N2CCC3(CCN(C(=O)Nc4cccc5ccccc45)CC3)C2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is YHLPTJIQZBUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-21(36-24-12-10-23(35-2)11-13-24)27(33)32-19-16-29(20-32)14-17-31(18-15-29)28(34)30-26-9-5-7-22-6-3-4-8-25(22)26/h3-13,21H,14-20H2,1-2H3,(H,30,34).
What are the key properties of 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3578565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).