4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one

C17H34N2O2 — CID 145297741

IUPAC4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one
SMILESCCN1CCCCCN(CC(C)C)CCOC(C)(C)C1=O
InChIInChI=1S/C17H34N2O2/c1-6-19-11-9-7-8-10-18(14-15(2)3)12-13-21-17(4,5)16(19)20/h15H,6-14H2,1-5H3
InChIKeyDGTOWDHLLPBLFN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.77
Rot. Bonds3

About 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one

4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one (PubChem CID 145297741) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one
PubChem CID145297741
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one
SMILESCCN1CCCCCN(CC(C)C)CCOC(C)(C)C1=O
InChIInChI=1S/C17H34N2O2/c1-6-19-11-9-7-8-10-18(14-15(2)3)12-13-21-17(4,5)16(19)20/h15H,6-14H2,1-5H3
InChIKeyDGTOWDHLLPBLFN-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one?
The IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one (CID 145297741) is 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one?
The canonical SMILES for 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one is CCN1CCCCCN(CC(C)C)CCOC(C)(C)C1=O.
What is the InChIKey of 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one?
The InChIKey is DGTOWDHLLPBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-19-11-9-7-8-10-18(14-15(2)3)12-13-21-17(4,5)16(19)20/h15H,6-14H2,1-5H3.
What are the key properties of 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one?
4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one has a molecular weight of 298.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-10-(2-methylpropyl)-1-oxa-4,10-diazacyclododecan-3-one is sourced from PubChem (CID 145297741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).