2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

C20H31N3O3 — CID 131646910

IUPAC2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(OC)cc3)C2)C1
InChIInChI=1S/C20H31N3O3/c1-21-19(24)13-23-10-11-26-16-20(15-23)8-3-9-22(14-20)12-17-4-6-18(25-2)7-5-17/h4-7H,3,8-16H2,1-2H3,(H,21,24)
InChIKeyDVDBKZSDJAYBKQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.36
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (PubChem CID 131646910) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
PubChem CID131646910
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(OC)cc3)C2)C1
InChIInChI=1S/C20H31N3O3/c1-21-19(24)13-23-10-11-26-16-20(15-23)8-3-9-22(14-20)12-17-4-6-18(25-2)7-5-17/h4-7H,3,8-16H2,1-2H3,(H,21,24)
InChIKeyDVDBKZSDJAYBKQ-UHFFFAOYSA-N
XLogP1.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131643062
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118745931
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
(3R,5R)-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124519960
7-[(4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155829298
9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863049
methyl (3S)-3-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 97160611
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (CID 131646910) is 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is CNC(=O)CN1CCOCC2(CCCN(Cc3ccc(OC)cc3)C2)C1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The InChIKey is DVDBKZSDJAYBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-21-19(24)13-23-10-11-26-16-20(15-23)8-3-9-22(14-20)12-17-4-6-18(25-2)7-5-17/h4-7H,3,8-16H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide has a molecular weight of 361.49 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is sourced from PubChem (CID 131646910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).