2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

C20H30N2O3 — CID 131645168

IUPAC2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESCOCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H30N2O3/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23)
InChIKeyOLYQOGPBHHJZST-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.86
Rot. Bonds6

About 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (PubChem CID 131645168) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
PubChem CID131645168
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESCOCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H30N2O3/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23)
InChIKeyOLYQOGPBHHJZST-UHFFFAOYSA-N
XLogP1.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 131659035
N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97483991
N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 131657367
N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 131662078
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide
CID 97483798
2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 97484288
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
CID 131646801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The IUPAC name of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (CID 131645168) is 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is COCC(=O)NC1COCCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The InChIKey is OLYQOGPBHHJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-16-19(23)21-18-15-25-14-10-20(18)8-12-22(13-9-20)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,23).
What are the key properties of 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is sourced from PubChem (CID 131645168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).