N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

C19H27N3O4 — CID 97279194

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C19H27N3O4/c1-14(15-6-4-5-7-16(15)25-3)21(2)17(23)12-22-13-19(26-18(22)24)8-10-20-11-9-19/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyAGJBQFORBSOMAI-AWEZNQCLSA-N
MW361.44 g/mol
LogP1.79
Rot. Bonds5

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 97279194) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID97279194
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C19H27N3O4/c1-14(15-6-4-5-7-16(15)25-3)21(2)17(23)12-22-13-19(26-18(22)24)8-10-20-11-9-19/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1
InChIKeyAGJBQFORBSOMAI-AWEZNQCLSA-N
XLogP1.79
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 120775483
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 95279087
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72906523
3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97270475
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120761456
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
2-[3-(2-methoxyphenyl)butanoyl]-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 167989089
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide (CID 97279194) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(CCNCC2)OC1=O.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is AGJBQFORBSOMAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14(15-6-4-5-7-16(15)25-3)21(2)17(23)12-22-13-19(26-18(22)24)8-10-20-11-9-19/h4-7,14,20H,8-13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 97279194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).