14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one

C19H34N2O2 — CID 151784181

IUPAC14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one
SMILESCCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCCC2
InChIInChI=1S/C19H34N2O2/c1-6-7-12-21-15(22)18(23-19(21)10-8-9-11-19)13-16(2,3)20-17(4,5)14-18/h20H,6-14H2,1-5H3
InChIKeyRVFZXARUQPFWRR-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.60
Rot. Bonds3

About 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one

14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one (PubChem CID 151784181) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one.

Molecular Properties

Compound Name14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one
PubChem CID151784181
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one
SMILESCCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCCC2
InChIInChI=1S/C19H34N2O2/c1-6-7-12-21-15(22)18(23-19(21)10-8-9-11-19)13-16(2,3)20-17(4,5)14-18/h20H,6-14H2,1-5H3
InChIKeyRVFZXARUQPFWRR-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one?
The IUPAC name of 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one (CID 151784181) is 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one.
What is the SMILES notation for 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one?
The canonical SMILES for 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one is CCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCCC2.
What is the InChIKey of 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one?
The InChIKey is RVFZXARUQPFWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-6-7-12-21-15(22)18(23-19(21)10-8-9-11-19)13-16(2,3)20-17(4,5)14-18/h20H,6-14H2,1-5H3.
What are the key properties of 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one?
14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one has a molecular weight of 322.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-butyl-9,9,11,11-tetramethyl-6-oxa-10,14-diazadispiro[4.1.57.25]tetradecan-13-one is sourced from PubChem (CID 151784181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).