(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

C19H27N3O2 — CID 97495478

IUPAC(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccc(C)cc1)C2
InChIInChI=1S/C19H27N3O2/c1-3-22-17(23)6-4-11-19(22)12-5-13-21(14-19)18(24)20-16-9-7-15(2)8-10-16/h7-10H,3-6,11-14H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyXWRJOSLYDSUNEZ-LJQANCHMSA-N
MW329.44 g/mol
LogP3.39
Rot. Bonds2

About (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 97495478) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID97495478
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccc(C)cc1)C2
InChIInChI=1S/C19H27N3O2/c1-3-22-17(23)6-4-11-19(22)12-5-13-21(14-19)18(24)20-16-9-7-15(2)8-10-16/h7-10H,3-6,11-14H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyXWRJOSLYDSUNEZ-LJQANCHMSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070508
(6S)-1-methyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495388
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495385
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008

Frequently Asked Questions

What is the IUPAC name of (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 97495478) is (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccc(C)cc1)C2.
What is the InChIKey of (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is XWRJOSLYDSUNEZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-22-17(23)6-4-11-19(22)12-5-13-21(14-19)18(24)20-16-9-7-15(2)8-10-16/h7-10H,3-6,11-14H2,1-2H3,(H,20,24)/t19-/m1/s1.
What are the key properties of (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 97495478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).