3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C18H25N3O3 — CID 126434188

IUPAC3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC[C@H](CNC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-14(15-6-4-3-5-7-15)12-19-16(22)21-10-8-18(9-11-21)13-20(2)17(23)24-18/h3-7,14H,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBMUIUZSIZVSXRE-CQSZACIVSA-N
MW331.42 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 126434188) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID126434188
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC[C@H](CNC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-14(15-6-4-3-5-7-15)12-19-16(22)21-10-8-18(9-11-21)13-20(2)17(23)24-18/h3-7,14H,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBMUIUZSIZVSXRE-CQSZACIVSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
(4S)-2-(aminomethylidene)-4-hydroxy-4-methyl-3-methylimino-N-[(2R)-2-phenylpropyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 177063177
N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126431065
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 70779385
N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94816549
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95870119
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 126434188) is 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is C[C@H](CNC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccccc1.
What is the InChIKey of 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is BMUIUZSIZVSXRE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(15-6-4-3-5-7-15)12-19-16(22)21-10-8-18(9-11-21)13-20(2)17(23)24-18/h3-7,14H,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 126434188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).