(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C19H27N3O3 — CID 126453746

IUPAC(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-8-14(2)16(15(3)9-13)10-20-17(23)22-7-5-6-19(12-22)11-21(4)18(24)25-19/h8-9H,5-7,10-12H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyULNUMVFIAZBNBR-LJQANCHMSA-N
MW345.44 g/mol
LogP2.74
Rot. Bonds2

About (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 126453746) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID126453746
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-8-14(2)16(15(3)9-13)10-20-17(23)22-7-5-6-19(12-22)11-21(4)18(24)25-19/h8-9H,5-7,10-12H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyULNUMVFIAZBNBR-LJQANCHMSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 126453746) is (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is Cc1cc(C)c(CNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c(C)c1.
What is the InChIKey of (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is ULNUMVFIAZBNBR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-8-14(2)16(15(3)9-13)10-20-17(23)22-7-5-6-19(12-22)11-21(4)18(24)25-19/h8-9H,5-7,10-12H2,1-4H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 126453746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).