2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C17H25N3O3 — CID 131658445

IUPAC2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(Cc3ccccc3OC)C2)CN1C
InChIInChI=1S/C17H25N3O3/c1-18-16(21)14-9-23-17(10-19(14)2)11-20(12-17)8-13-6-4-5-7-15(13)22-3/h4-7,14H,8-12H2,1-3H3,(H,18,21)
InChIKeyQOSQMDGICJVOTR-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.33
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131658445) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131658445
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(Cc3ccccc3OC)C2)CN1C
InChIInChI=1S/C17H25N3O3/c1-18-16(21)14-9-23-17(10-19(14)2)11-20(12-17)8-13-6-4-5-7-15(13)22-3/h4-7,14H,8-12H2,1-3H3,(H,18,21)
InChIKeyQOSQMDGICJVOTR-UHFFFAOYSA-N
XLogP0.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-N,8-dimethyl-2-(naphthalen-1-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813793
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086218
N-[[(7R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124820874
N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131661153
8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131660879
(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131678398
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
1-acetyl-4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 127245448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131658445) is 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(Cc3ccccc3OC)C2)CN1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is QOSQMDGICJVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-18-16(21)14-9-23-17(10-19(14)2)11-20(12-17)8-13-6-4-5-7-15(13)22-3/h4-7,14H,8-12H2,1-3H3,(H,18,21).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131658445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).