(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C18H25N3O4 — CID 126424841

IUPAC(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCCOc3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H25N3O4/c1-20-14-18(25-17(20)23)8-5-11-21(12-9-18)16(22)19-10-13-24-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyKNUCXIBPYLZPKB-GOSISDBHSA-N
MW347.42 g/mol
LogP2.08
Rot. Bonds4

About (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 126424841) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID126424841
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCCOc3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H25N3O4/c1-20-14-18(25-17(20)23)8-5-11-21(12-9-18)16(22)19-10-13-24-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyKNUCXIBPYLZPKB-GOSISDBHSA-N
XLogP2.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188
N-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 122571263
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
(5R)-N-(3-ethoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125164128
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
(5R)-3-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126432202
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 126424841) is (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is CN1C[C@]2(CCCN(C(=O)NCCOc3ccccc3)CC2)OC1=O.
What is the InChIKey of (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is KNUCXIBPYLZPKB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-20-14-18(25-17(20)23)8-5-11-21(12-9-18)16(22)19-10-13-24-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,19,22)/t18-/m1/s1.
What are the key properties of (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 126424841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).