1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one

C18H34N2O — CID 145399754

IUPAC1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
SMILESC=C1CCNC(=O)C(C)CCC(C)C(C)(C)CCCN1C
InChIInChI=1S/C18H34N2O/c1-14-8-9-15(2)18(4,5)11-7-13-20(6)16(3)10-12-19-17(14)21/h14-15H,3,7-13H2,1-2,4-6H3,(H,19,21)
InChIKeyZHFZMSPQCCWVDR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.81
Rot. Bonds

About 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one

1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one (PubChem CID 145399754) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one.

Molecular Properties

Compound Name1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
PubChem CID145399754
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
SMILESC=C1CCNC(=O)C(C)CCC(C)C(C)(C)CCCN1C
InChIInChI=1S/C18H34N2O/c1-14-8-9-15(2)18(4,5)11-7-13-20(6)16(3)10-12-19-17(14)21/h14-15H,3,7-13H2,1-2,4-6H3,(H,19,21)
InChIKeyZHFZMSPQCCWVDR-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The IUPAC name of 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one (CID 145399754) is 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one.
What is the SMILES notation for 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The canonical SMILES for 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one is C=C1CCNC(=O)C(C)CCC(C)C(C)(C)CCCN1C.
What is the InChIKey of 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
The InChIKey is ZHFZMSPQCCWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14-8-9-15(2)18(4,5)11-7-13-20(6)16(3)10-12-19-17(14)21/h14-15H,3,7-13H2,1-2,4-6H3,(H,19,21).
What are the key properties of 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one?
1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one has a molecular weight of 294.48 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,10,11,11-pentamethyl-2-methylidene-1,5-diazacyclotetradecan-6-one is sourced from PubChem (CID 145399754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).