1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H42N4O4 — CID 130200758

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOC(CO)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O4/c1-29(2)28(23-9-4-3-5-10-23)13-11-27(12-14-28)21-31(26(35)32(27)17-22-7-6-8-22)19-25(34)30-15-16-36-24(18-30)20-33/h3-5,9-10,22,24,33H,6-8,11-21H2,1-2H3
InChIKeyYLWSEZXSEAEMFB-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.51
Rot. Bonds7

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200758) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200758
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOC(CO)C1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O4/c1-29(2)28(23-9-4-3-5-10-23)13-11-27(12-14-28)21-31(26(35)32(27)17-22-7-6-8-22)19-25(34)30-15-16-36-24(18-30)20-33/h3-5,9-10,22,24,33H,6-8,11-21H2,1-2H3
InChIKeyYLWSEZXSEAEMFB-UHFFFAOYSA-N
XLogP2.51
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200758) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOC(CO)C1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YLWSEZXSEAEMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-29(2)28(23-9-4-3-5-10-23)13-11-27(12-14-28)21-31(26(35)32(27)17-22-7-6-8-22)19-25(34)30-15-16-36-24(18-30)20-33/h3-5,9-10,22,24,33H,6-8,11-21H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 498.67 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).