(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione

C33H42N2O2 — CID 155569276

IUPAC(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione
SMILESCC1=C\C=C\C=C\C=C/C=C\[C@H](C)CNC(=O)/C(C)=C/C=C/C=C/C=C/C=C\[C@H](C)CNC(=O)\C(C)=C\1
InChIInChI=1S/C33H42N2O2/c1-27-20-16-12-8-6-9-13-17-21-28(2)25-34-32(36)30(4)23-19-15-11-7-10-14-18-22-29(3)26-35-33(37)31(5)24-27/h6-24,28-29H,25-26H2,1-5H3,(H,34,36)(H,35,37)/b8-6+,11-7+,13-9-,14-10+,16-12+,19-15+,21-17-,22-18-,27-20+,30-23+,31-24+/t28-,29-/m0/s1
InChIKeyPKDOHWFBCZCSLM-ZMWUNYKXSA-N
MW498.71 g/mol
LogP6.79
Rot. Bonds

About (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione

(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione (PubChem CID 155569276) has the molecular formula C33H42N2O2 and a molecular weight of 498.71 g/mol. Its IUPAC name is (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione.

Molecular Properties

Compound Name(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione
PubChem CID155569276
Molecular FormulaC33H42N2O2
Molecular Weight498.71 g/mol
Exact Mass498.32
IUPAC Name(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione
SMILESCC1=C\C=C\C=C\C=C/C=C\[C@H](C)CNC(=O)/C(C)=C/C=C/C=C/C=C/C=C\[C@H](C)CNC(=O)\C(C)=C\1
InChIInChI=1S/C33H42N2O2/c1-27-20-16-12-8-6-9-13-17-21-28(2)25-34-32(36)30(4)23-19-15-11-7-10-14-18-22-29(3)26-35-33(37)31(5)24-27/h6-24,28-29H,25-26H2,1-5H3,(H,34,36)(H,35,37)/b8-6+,11-7+,13-9-,14-10+,16-12+,19-15+,21-17-,22-18-,27-20+,30-23+,31-24+/t28-,29-/m0/s1
InChIKeyPKDOHWFBCZCSLM-ZMWUNYKXSA-N
XLogP6.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione?
The IUPAC name of (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione (CID 155569276) is (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione.
What is the SMILES notation for (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione?
The canonical SMILES for (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione is CC1=C\C=C\C=C\C=C/C=C\[C@H](C)CNC(=O)/C(C)=C/C=C/C=C/C=C/C=C\[C@H](C)CNC(=O)\C(C)=C\1.
What is the InChIKey of (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione?
The InChIKey is PKDOHWFBCZCSLM-ZMWUNYKXSA-N. The full InChI is InChI=1S/C33H42N2O2/c1-27-20-16-12-8-6-9-13-17-21-28(2)25-34-32(36)30(4)23-19-15-11-7-10-14-18-22-29(3)26-35-33(37)31(5)24-27/h6-24,28-29H,25-26H2,1-5H3,(H,34,36)(H,35,37)/b8-6+,11-7+,13-9-,14-10+,16-12+,19-15+,21-17-,22-18-,27-20+,30-23+,31-24+/t28-,29-/m0/s1.
What are the key properties of (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione?
(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione has a molecular weight of 498.71 g/mol, XLogP of 6.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione is sourced from PubChem (CID 155569276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).