12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one

C21H30N2O2 — CID 129053654

IUPAC12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCC(NCCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-16-20(25-21(13-14-21)19(23)24)11-8-18(9-12-20)22-15-10-17-6-4-3-5-7-17/h3-7,18,22H,2,8-16H2,1H3
InChIKeyDISFTZMRFFQRDU-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.91
Rot. Bonds5

About 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one

12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one (PubChem CID 129053654) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
PubChem CID129053654
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCC(NCCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-16-20(25-21(13-14-21)19(23)24)11-8-18(9-12-20)22-15-10-17-6-4-3-5-7-17/h3-7,18,22H,2,8-16H2,1H3
InChIKeyDISFTZMRFFQRDU-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one with MolForge

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Related Compounds

12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
3-[2-(12-ethyl-13-oxo-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl)ethyl]benzonitrile
CID 118560949
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
9-(benzylamino)-2,2-dimethyl-1-oxa-4-azaspiro[5.5]undecan-3-one
CID 129069994
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one (CID 129053654) is 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCC(NCCc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is DISFTZMRFFQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-23-16-20(25-21(13-14-21)19(23)24)11-8-18(9-12-20)22-15-10-17-6-4-3-5-7-17/h3-7,18,22H,2,8-16H2,1H3.
What are the key properties of 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 342.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 129053654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).