12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C17H30N2O3 — CID 135332810

IUPAC12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCOC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C17H30N2O3/c1-4-19-13-16(22-17(5-6-17)15(19)20)7-9-18(10-8-16)11-12-21-14(2)3/h14H,4-13H2,1-3H3
InChIKeyFYDOHKQBLHDBFR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.66
Rot. Bonds5

About 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135332810) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135332810
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(CCOC(C)C)CC2)OC2(CC2)C1=O
InChIInChI=1S/C17H30N2O3/c1-4-19-13-16(22-17(5-6-17)15(19)20)7-9-18(10-8-16)11-12-21-14(2)3/h14H,4-13H2,1-3H3
InChIKeyFYDOHKQBLHDBFR-UHFFFAOYSA-N
XLogP1.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135332810) is 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCN(CCOC(C)C)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is FYDOHKQBLHDBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-4-19-13-16(22-17(5-6-17)15(19)20)7-9-18(10-8-16)11-12-21-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 310.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8-(2-propan-2-yloxyethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135332810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).