2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide

C27H41N5O3 — CID 130200462

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H41N5O3/c1-29(2)24(34)17-28-23(33)19-31-20-26(32(25(31)35)18-21-9-8-10-21)13-15-27(16-14-26,30(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33)
InChIKeyOSPUVRMIICANLJ-UHFFFAOYSA-N
MW483.66 g/mol
LogP2.50
Rot. Bonds8

About 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 130200462) has the molecular formula C27H41N5O3 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
PubChem CID130200462
Molecular FormulaC27H41N5O3
Molecular Weight483.66 g/mol
Exact Mass483.32
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H41N5O3/c1-29(2)24(34)17-28-23(33)19-31-20-26(32(25(31)35)18-21-9-8-10-21)13-15-27(16-14-26,30(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33)
InChIKeyOSPUVRMIICANLJ-UHFFFAOYSA-N
XLogP2.50
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide (CID 130200462) is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is OSPUVRMIICANLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O3/c1-29(2)24(34)17-28-23(33)19-31-20-26(32(25(31)35)18-21-9-8-10-21)13-15-27(16-14-26,30(3)4)22-11-6-5-7-12-22/h5-7,11-12,21H,8-10,13-20H2,1-4H3,(H,28,33).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 483.66 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 130200462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).