2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide

C27H37N5O3 — CID 130200944

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCc1ncco1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H37N5O3/c1-30(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)20-31(25(34)32(26)18-21-7-6-8-21)19-23(33)29-17-24-28-15-16-35-24/h3-5,9-10,15-16,21H,6-8,11-14,17-20H2,1-2H3,(H,29,33)
InChIKeyTUPFZGGJVUVQSQ-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.60
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide (PubChem CID 130200944) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide
PubChem CID130200944
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCc1ncco1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H37N5O3/c1-30(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)20-31(25(34)32(26)18-21-7-6-8-21)19-23(33)29-17-24-28-15-16-35-24/h3-5,9-10,15-16,21H,6-8,11-14,17-20H2,1-2H3,(H,29,33)
InChIKeyTUPFZGGJVUVQSQ-UHFFFAOYSA-N
XLogP3.60
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide (CID 130200944) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCc1ncco1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide?
The InChIKey is TUPFZGGJVUVQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-30(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)20-31(25(34)32(26)18-21-7-6-8-21)19-23(33)29-17-24-28-15-16-35-24/h3-5,9-10,15-16,21H,6-8,11-14,17-20H2,1-2H3,(H,29,33).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide has a molecular weight of 479.63 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)acetamide is sourced from PubChem (CID 130200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).