N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

C20H31N3O2 — CID 118745932

IUPACN-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-21-19(24)14-23-12-13-25-17-20(16-23)9-5-10-22(15-20)11-8-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3,(H,21,24)
InChIKeyTWXLRPIBNHMTRA-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.39
Rot. Bonds5

About N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (PubChem CID 118745932) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
PubChem CID118745932
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-21-19(24)14-23-12-13-25-17-20(16-23)9-5-10-22(15-20)11-8-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3,(H,21,24)
InChIKeyTWXLRPIBNHMTRA-UHFFFAOYSA-N
XLogP1.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-morpholin-4-yl-N-(4-phenylbutan-2-yl)acetamide
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CID 45862368
2-[(4-methylmorpholin-2-yl)methylamino]-N-(3-phenylpropyl)acetamide
CID 53600965
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CID 71974395
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (CID 118745932) is N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is CNC(=O)CN1CCOCC2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The InChIKey is TWXLRPIBNHMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21-19(24)14-23-12-13-25-17-20(16-23)9-5-10-22(15-20)11-8-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3,(H,21,24).
What are the key properties of N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is sourced from PubChem (CID 118745932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).