2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide

C29H36N4O3 — CID 4517535

IUPAC2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)CCC3CCCC3)CC2)C1=O)Nc1ccccc1
InChIInChI=1S/C29H36N4O3/c34-26(30-24-11-3-1-4-12-24)21-32-22-33(25-13-5-2-6-14-25)29(28(32)36)17-19-31(20-18-29)27(35)16-15-23-9-7-8-10-23/h1-6,11-14,23H,7-10,15-22H2,(H,30,34)
InChIKeyOEAOLKPAKIMKRF-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.26
Rot. Bonds7

About 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide

2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide (PubChem CID 4517535) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
PubChem CID4517535
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)CCC3CCCC3)CC2)C1=O)Nc1ccccc1
InChIInChI=1S/C29H36N4O3/c34-26(30-24-11-3-1-4-12-24)21-32-22-33(25-13-5-2-6-14-25)29(28(32)36)17-19-31(20-18-29)27(35)16-15-23-9-7-8-10-23/h1-6,11-14,23H,7-10,15-22H2,(H,30,34)
InChIKeyOEAOLKPAKIMKRF-UHFFFAOYSA-N
XLogP4.26
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42772708
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 4132802
N-(cyclohexylmethyl)-2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5113199
N-(3,4-dimethylphenyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 3536256
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 4186547
3-[2-(3-chloroanilino)-2-oxoethyl]-N-(3-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4296396
2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
CID 3509588
N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3505724
N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42766501
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide
CID 24717222

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide (CID 4517535) is 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)CCC3CCCC3)CC2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide?
The InChIKey is OEAOLKPAKIMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c34-26(30-24-11-3-1-4-12-24)21-32-22-33(25-13-5-2-6-14-25)29(28(32)36)17-19-31(20-18-29)27(35)16-15-23-9-7-8-10-23/h1-6,11-14,23H,7-10,15-22H2,(H,30,34).
What are the key properties of 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide?
2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide has a molecular weight of 488.63 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide is sourced from PubChem (CID 4517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).