1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one

C27H43N3O2 — CID 155200018

IUPAC1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(C)(N(C)CC(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C27H43N3O2/c1-21(2)17-28(4)26(3)13-15-27(16-14-26)20-29(18-23-9-11-24(32-5)12-10-23)25(31)30(27)19-22-7-6-8-22/h9-12,21-22H,6-8,13-20H2,1-5H3
InChIKeyOJRODEOWEJKCAS-UHFFFAOYSA-N
MW441.66 g/mol
LogP5.39
Rot. Bonds8

About 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155200018) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155200018
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Name1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(C)(N(C)CC(C)C)CC3)N(CC3CCC3)C2=O)cc1
InChIInChI=1S/C27H43N3O2/c1-21(2)17-28(4)26(3)13-15-27(16-14-26)20-29(18-23-9-11-24(32-5)12-10-23)25(31)30(27)19-22-7-6-8-22/h9-12,21-22H,6-8,13-20H2,1-5H3
InChIKeyOJRODEOWEJKCAS-UHFFFAOYSA-N
XLogP5.39
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one (CID 155200018) is 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(C)(N(C)CC(C)C)CC3)N(CC3CCC3)C2=O)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is OJRODEOWEJKCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-21(2)17-28(4)26(3)13-15-27(16-14-26)20-29(18-23-9-11-24(32-5)12-10-23)25(31)30(27)19-22-7-6-8-22/h9-12,21-22H,6-8,13-20H2,1-5H3.
What are the key properties of 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 441.66 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-8-[methyl(2-methylpropyl)amino]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).