1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone

C20H29NO4 — CID 97418511

IUPAC1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOC[C@@H]1COCCC12CCN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C20H29NO4/c1-23-14-17-15-25-11-8-20(17)6-9-21(10-7-20)19(22)13-16-4-3-5-18(12-16)24-2/h3-5,12,17H,6-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyKKKQMLRXQQRHQP-QGZVFWFLSA-N
MW347.45 g/mol
LogP2.53
Rot. Bonds5

About 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone

1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 97418511) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID97418511
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOC[C@@H]1COCCC12CCN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C20H29NO4/c1-23-14-17-15-25-11-8-20(17)6-9-21(10-7-20)19(22)13-16-4-3-5-18(12-16)24-2/h3-5,12,17H,6-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyKKKQMLRXQQRHQP-QGZVFWFLSA-N
XLogP2.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone with MolForge

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Related Compounds

[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
2-(3-methoxyphenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510623
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-(3-methoxyphenyl)propan-1-one
CID 91910519
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
5-(methoxymethyl)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155853740

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone (CID 97418511) is 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone is COC[C@@H]1COCCC12CCN(C(=O)Cc1cccc(OC)c1)CC2.
What is the InChIKey of 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is KKKQMLRXQQRHQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO4/c1-23-14-17-15-25-11-8-20(17)6-9-21(10-7-20)19(22)13-16-4-3-5-18(12-16)24-2/h3-5,12,17H,6-11,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone?
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 347.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 97418511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).