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

C30H46N4O3 — CID 130200648

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCCCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H46N4O3/c1-32(2)30(25-12-5-3-6-13-25)18-16-28(17-19-30)23-33(27(36)34(28)20-24-10-9-11-24)21-26(35)31-22-29(37)14-7-4-8-15-29/h3,5-6,12-13,24,37H,4,7-11,14-23H2,1-2H3,(H,31,35)
InChIKeyWVYBDRCSTQJMIN-UHFFFAOYSA-N
MW510.72 g/mol
LogP4.11
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 130200648) has the molecular formula C30H46N4O3 and a molecular weight of 510.72 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-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID130200648
Molecular FormulaC30H46N4O3
Molecular Weight510.72 g/mol
Exact Mass510.36
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCCCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H46N4O3/c1-32(2)30(25-12-5-3-6-13-25)18-16-28(17-19-30)23-33(27(36)34(28)20-24-10-9-11-24)21-26(35)31-22-29(37)14-7-4-8-15-29/h3,5-6,12-13,24,37H,4,7-11,14-23H2,1-2H3,(H,31,35)
InChIKeyWVYBDRCSTQJMIN-UHFFFAOYSA-N
XLogP4.11
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.72
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 130200648) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]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-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCCCC1)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-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is WVYBDRCSTQJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O3/c1-32(2)30(25-12-5-3-6-13-25)18-16-28(17-19-30)23-33(27(36)34(28)20-24-10-9-11-24)21-26(35)31-22-29(37)14-7-4-8-15-29/h3,5-6,12-13,24,37H,4,7-11,14-23H2,1-2H3,(H,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-[(1-hydroxycyclohexyl)methyl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 510.72 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 130200648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).