13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

C21H30N2O2 — CID 129053856

IUPAC13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-17-20(25-21(11-12-21)19(23)24)10-6-14-22(16-13-20)15-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
InChIKeyJMXVNVOOMKQKMA-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.87
Rot. Bonds4

About 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (PubChem CID 129053856) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.

Molecular Properties

Compound Name13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
PubChem CID129053856
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H30N2O2/c1-2-23-17-20(25-21(11-12-21)19(23)24)10-6-14-22(16-13-20)15-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3
InChIKeyJMXVNVOOMKQKMA-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one with MolForge

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Related Compounds

4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
12-Methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 118561105
(2S)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162660406

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The IUPAC name of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (CID 129053856) is 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.
What is the SMILES notation for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The canonical SMILES for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is CCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The InChIKey is JMXVNVOOMKQKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-23-17-20(25-21(11-12-21)19(23)24)10-6-14-22(16-13-20)15-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3.
What are the key properties of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one has a molecular weight of 342.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is sourced from PubChem (CID 129053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).