12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one

C14H23NO4 — CID 129053663

IUPAC12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one
SMILESCCN1CC2(CCC3(CC2)OCCO3)OC(C)C1=O
InChIInChI=1S/C14H23NO4/c1-3-15-10-13(19-11(2)12(15)16)4-6-14(7-5-13)17-8-9-18-14/h11H,3-10H2,1-2H3
InChIKeyAVPVJZOXCCTGTH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.31
Rot. Bonds1

About 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one

12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one (PubChem CID 129053663) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one.

Molecular Properties

Compound Name12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one
PubChem CID129053663
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one
SMILESCCN1CC2(CCC3(CC2)OCCO3)OC(C)C1=O
InChIInChI=1S/C14H23NO4/c1-3-15-10-13(19-11(2)12(15)16)4-6-14(7-5-13)17-8-9-18-14/h11H,3-10H2,1-2H3
InChIKeyAVPVJZOXCCTGTH-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
(2S)-9-(2,2-dimethylpropyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374785
(2S)-9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332875
9-(3,3-dimethylbutyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332876
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370665
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
CID 137370531
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
2-methyl-9-(2-propan-2-yloxyethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332748
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070238

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one?
The IUPAC name of 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one (CID 129053663) is 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one.
What is the SMILES notation for 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one?
The canonical SMILES for 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one is CCN1CC2(CCC3(CC2)OCCO3)OC(C)C1=O.
What is the InChIKey of 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one?
The InChIKey is AVPVJZOXCCTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-15-10-13(19-11(2)12(15)16)4-6-14(7-5-13)17-8-9-18-14/h11H,3-10H2,1-2H3.
What are the key properties of 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one?
12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one has a molecular weight of 269.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-10-methyl-1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-11-one is sourced from PubChem (CID 129053663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).