(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one

C17H32N2O — CID 145399674

IUPAC(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
SMILESC=C1CCNC(=O)[C@H](C)CCCC(C)(C)CCCN1C
InChIInChI=1S/C17H32N2O/c1-14-8-6-10-17(3,4)11-7-13-19(5)15(2)9-12-18-16(14)20/h14H,2,6-13H2,1,3-5H3,(H,18,20)/t14-/m1/s1
InChIKeyKQLUWSXDWDOCSF-CQSZACIVSA-N
MW280.46 g/mol
LogP3.56
Rot. Bonds

About (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one

(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one (PubChem CID 145399674) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one.

Molecular Properties

Compound Name(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
PubChem CID145399674
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
SMILESC=C1CCNC(=O)[C@H](C)CCCC(C)(C)CCCN1C
InChIInChI=1S/C17H32N2O/c1-14-8-6-10-17(3,4)11-7-13-19(5)15(2)9-12-18-16(14)20/h14H,2,6-13H2,1,3-5H3,(H,18,20)/t14-/m1/s1
InChIKeyKQLUWSXDWDOCSF-CQSZACIVSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,7,10,11,11-Pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
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Frequently Asked Questions

What is the IUPAC name of (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The IUPAC name of (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one (CID 145399674) is (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one.
What is the SMILES notation for (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The canonical SMILES for (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one is C=C1CCNC(=O)[C@H](C)CCCC(C)(C)CCCN1C.
What is the InChIKey of (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The InChIKey is KQLUWSXDWDOCSF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14-8-6-10-17(3,4)11-7-13-19(5)15(2)9-12-18-16(14)20/h14H,2,6-13H2,1,3-5H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one has a molecular weight of 280.46 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one is sourced from PubChem (CID 145399674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).