2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide

C32H49N3O3 — CID 130249414

IUPAC2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide
SMILESCC1C(=O)N(CC(=O)NCC2CCC(O)C2)CC2(CCC(c3ccccc3)(N(C)C)CC2)C1CC1CCC1
InChIInChI=1S/C32H49N3O3/c1-23-28(19-24-8-7-9-24)31(14-16-32(17-15-31,34(2)3)26-10-5-4-6-11-26)22-35(30(23)38)21-29(37)33-20-25-12-13-27(36)18-25/h4-6,10-11,23-25,27-28,36H,7-9,12-22H2,1-3H3,(H,33,37)
InChIKeyZNAXRJCQUVRNRE-UHFFFAOYSA-N
MW523.76 g/mol
LogP4.57
Rot. Bonds8

About 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide

2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide (PubChem CID 130249414) has the molecular formula C32H49N3O3 and a molecular weight of 523.76 g/mol. Its IUPAC name is 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide
PubChem CID130249414
Molecular FormulaC32H49N3O3
Molecular Weight523.76 g/mol
Exact Mass523.38
IUPAC Name2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide
SMILESCC1C(=O)N(CC(=O)NCC2CCC(O)C2)CC2(CCC(c3ccccc3)(N(C)C)CC2)C1CC1CCC1
InChIInChI=1S/C32H49N3O3/c1-23-28(19-24-8-7-9-24)31(14-16-32(17-15-31,34(2)3)26-10-5-4-6-11-26)22-35(30(23)38)21-29(37)33-20-25-12-13-27(36)18-25/h4-6,10-11,23-25,27-28,36H,7-9,12-22H2,1-3H3,(H,33,37)
InChIKeyZNAXRJCQUVRNRE-UHFFFAOYSA-N
XLogP4.57
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The IUPAC name of 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide (CID 130249414) is 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide is CC1C(=O)N(CC(=O)NCC2CCC(O)C2)CC2(CCC(c3ccccc3)(N(C)C)CC2)C1CC1CCC1.
What is the InChIKey of 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The InChIKey is ZNAXRJCQUVRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N3O3/c1-23-28(19-24-8-7-9-24)31(14-16-32(17-15-31,34(2)3)26-10-5-4-6-11-26)22-35(30(23)38)21-29(37)33-20-25-12-13-27(36)18-25/h4-6,10-11,23-25,27-28,36H,7-9,12-22H2,1-3H3,(H,33,37).
What are the key properties of 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide?
2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide has a molecular weight of 523.76 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutylmethyl)-9-(dimethylamino)-4-methyl-3-oxo-9-phenyl-2-azaspiro[5.5]undecan-2-yl]-N-[(3-hydroxycyclopentyl)methyl]acetamide is sourced from PubChem (CID 130249414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).