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

C29H39N5O3 — CID 130200456

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide
SMILESCOc1cccnc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H39N5O3/c1-32(2)29(23-11-5-4-6-12-23)16-14-28(15-17-29)21-33(27(36)34(28)19-22-9-7-10-22)20-25(35)31-26-24(37-3)13-8-18-30-26/h4-6,8,11-13,18,22H,7,9-10,14-17,19-21H2,1-3H3,(H,30,31,35)
InChIKeyKKGOGXHOPIBFIJ-UHFFFAOYSA-N
MW505.66 g/mol
LogP4.34
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide (PubChem CID 130200456) has the molecular formula C29H39N5O3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide
PubChem CID130200456
Molecular FormulaC29H39N5O3
Molecular Weight505.66 g/mol
Exact Mass505.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide
SMILESCOc1cccnc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H39N5O3/c1-32(2)29(23-11-5-4-6-12-23)16-14-28(15-17-29)21-33(27(36)34(28)19-22-9-7-10-22)20-25(35)31-26-24(37-3)13-8-18-30-26/h4-6,8,11-13,18,22H,7,9-10,14-17,19-21H2,1-3H3,(H,30,31,35)
InChIKeyKKGOGXHOPIBFIJ-UHFFFAOYSA-N
XLogP4.34
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.66
LogP ≤ 54.34
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-(3-methoxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide (CID 130200456) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)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-(3-methoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide is COc1cccnc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide?
The InChIKey is KKGOGXHOPIBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3/c1-32(2)29(23-11-5-4-6-12-23)16-14-28(15-17-29)21-33(27(36)34(28)19-22-9-7-10-22)20-25(35)31-26-24(37-3)13-8-18-30-26/h4-6,8,11-13,18,22H,7,9-10,14-17,19-21H2,1-3H3,(H,30,31,35).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-methoxy-2-pyridinyl)acetamide has a molecular weight of 505.66 g/mol, XLogP of 4.34, 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-(3-methoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 130200456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).