2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C20H30N2O5 — CID 163317866

IUPAC2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2
InChIInChI=1S/C20H30N2O5/c1-19(25)14-20(27-13-17(19)23)7-9-22(10-8-20)12-18(24)21-11-15-5-3-4-6-16(15)26-2/h3-6,17,23,25H,7-14H2,1-2H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyAXEVOYRAWYPNQS-HKUYNNGSSA-N
MW378.47 g/mol
LogP0.68
Rot. Bonds5

About 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 163317866) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID163317866
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2
InChIInChI=1S/C20H30N2O5/c1-19(25)14-20(27-13-17(19)23)7-9-22(10-8-20)12-18(24)21-11-15-5-3-4-6-16(15)26-2/h3-6,17,23,25H,7-14H2,1-2H3,(H,21,24)/t17-,19-/m0/s1
InChIKeyAXEVOYRAWYPNQS-HKUYNNGSSA-N
XLogP0.68
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
(3S,4S)-9-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164694106
(3S,4S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 135119088
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
CID 163305287
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 163317866) is 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2.
What is the InChIKey of 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is AXEVOYRAWYPNQS-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-19(25)14-20(27-13-17(19)23)7-9-22(10-8-20)12-18(24)21-11-15-5-3-4-6-16(15)26-2/h3-6,17,23,25H,7-14H2,1-2H3,(H,21,24)/t17-,19-/m0/s1.
What are the key properties of 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 163317866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).