2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide

C30H46N4O3 — CID 130200573

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1CCC(O)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H46N4O3/c1-32(2)30(25-9-4-3-5-10-25)17-15-29(16-18-30)22-33(28(37)34(29)20-24-7-6-8-24)21-27(36)31-19-23-11-13-26(35)14-12-23/h3-5,9-10,23-24,26,35H,6-8,11-22H2,1-2H3,(H,31,36)
InChIKeyPHBWPVILWRHQTL-UHFFFAOYSA-N
MW510.72 g/mol
LogP3.96
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 130200573) 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-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID130200573
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-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1CCC(O)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C30H46N4O3/c1-32(2)30(25-9-4-3-5-10-25)17-15-29(16-18-30)22-33(28(37)34(29)20-24-7-6-8-24)21-27(36)31-19-23-11-13-26(35)14-12-23/h3-5,9-10,23-24,26,35H,6-8,11-22H2,1-2H3,(H,31,36)
InChIKeyPHBWPVILWRHQTL-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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-[(4-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-[(4-hydroxycyclohexyl)methyl]acetamide (CID 130200573) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-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-[(4-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-[(4-hydroxycyclohexyl)methyl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1CCC(O)CC1)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-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is PHBWPVILWRHQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O3/c1-32(2)30(25-9-4-3-5-10-25)17-15-29(16-18-30)22-33(28(37)34(29)20-24-7-6-8-24)21-27(36)31-19-23-11-13-26(35)14-12-23/h3-5,9-10,23-24,26,35H,6-8,11-22H2,1-2H3,(H,31,36).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 510.72 g/mol, XLogP of 3.96, 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-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 130200573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).