(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one

C19H28N2O2 — CID 97392437

IUPAC(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C19H28N2O2/c1-4-17-19(12-10-18(22)20(19)2)11-5-13-21(17)14-15-6-8-16(23-3)9-7-15/h6-9,17H,4-5,10-14H2,1-3H3/t17-,19+/m1/s1
InChIKeyOKVUEGFWSLZMCD-MJGOQNOKSA-N
MW316.44 g/mol
LogP3.06
Rot. Bonds4

About (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97392437) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97392437
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C19H28N2O2/c1-4-17-19(12-10-18(22)20(19)2)11-5-13-21(17)14-15-6-8-16(23-3)9-7-15/h6-9,17H,4-5,10-14H2,1-3H3/t17-,19+/m1/s1
InChIKeyOKVUEGFWSLZMCD-MJGOQNOKSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97375597
(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
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(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124821175
(5S,10R)-10-ethyl-1-methyl-9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,9-diazaspiro[4.5]decan-2-one
CID 131684137
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9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one (CID 97392437) is (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is OKVUEGFWSLZMCD-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-17-19(12-10-18(22)20(19)2)11-5-13-21(17)14-15-6-8-16(23-3)9-7-15/h6-9,17H,4-5,10-14H2,1-3H3/t17-,19+/m1/s1.
What are the key properties of (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97392437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).