N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C21H32N2O2 — CID 125026764

IUPACN-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@@H]1CCOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-3-23(18(2)24)20-10-16-25-21(17-20)11-14-22(15-12-21)13-9-19-7-5-4-6-8-19/h4-8,20H,3,9-17H2,1-2H3/t20-/m1/s1
InChIKeyZVZVEXSBICTHMR-HXUWFJFHSA-N
MW344.50 g/mol
LogP3.11
Rot. Bonds5

About N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 125026764) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID125026764
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@@H]1CCOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-3-23(18(2)24)20-10-16-25-21(17-20)11-14-22(15-12-21)13-9-19-7-5-4-6-8-19/h4-8,20H,3,9-17H2,1-2H3/t20-/m1/s1
InChIKeyZVZVEXSBICTHMR-HXUWFJFHSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[(4S)-9-(4-benzyl-1-methylpiperidine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124990915
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110136118
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
N-[(2S,4S)-9-acetyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-ethylacetamide
CID 110136138
2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
CID 124976892
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 125026764) is N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CCN(C(C)=O)[C@@H]1CCOC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is ZVZVEXSBICTHMR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-23(18(2)24)20-10-16-25-21(17-20)11-14-22(15-12-21)13-9-19-7-5-4-6-8-19/h4-8,20H,3,9-17H2,1-2H3/t20-/m1/s1.
What are the key properties of N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 125026764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).