(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione

C27H37NO4 — CID 123414120

IUPAC(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione
SMILESCCCC=CCC1CC(=O)C=CC(C)/C=C/C=C\C(O)C(O)C=C(C)C=CC=CC(=O)N1
InChIInChI=1S/C27H37NO4/c1-4-5-6-7-14-23-20-24(29)18-17-21(2)12-8-10-15-25(30)26(31)19-22(3)13-9-11-16-27(32)28-23/h6-13,15-19,21,23,25-26,30-31H,4-5,14,20H2,1-3H3,(H,28,32)/b7-6?,12-8+,13-9?,15-10-,16-11?,18-17?,22-19?
InChIKeyWFXMQTMGSKUVDW-IHHASZHGSA-N
MW439.60 g/mol
LogP4.28
Rot. Bonds4

About (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione

(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione (PubChem CID 123414120) has the molecular formula C27H37NO4 and a molecular weight of 439.60 g/mol. Its IUPAC name is (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione.

Molecular Properties

Compound Name(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione
PubChem CID123414120
Molecular FormulaC27H37NO4
Molecular Weight439.60 g/mol
Exact Mass439.27
IUPAC Name(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione
SMILESCCCC=CCC1CC(=O)C=CC(C)/C=C/C=C\C(O)C(O)C=C(C)C=CC=CC(=O)N1
InChIInChI=1S/C27H37NO4/c1-4-5-6-7-14-23-20-24(29)18-17-21(2)12-8-10-15-25(30)26(31)19-22(3)13-9-11-16-27(32)28-23/h6-13,15-19,21,23,25-26,30-31H,4-5,14,20H2,1-3H3,(H,28,32)/b7-6?,12-8+,13-9?,15-10-,16-11?,18-17?,22-19?
InChIKeyWFXMQTMGSKUVDW-IHHASZHGSA-N
XLogP4.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione?
The IUPAC name of (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione (CID 123414120) is (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione.
What is the SMILES notation for (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione?
The canonical SMILES for (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione is CCCC=CCC1CC(=O)C=CC(C)/C=C/C=C\C(O)C(O)C=C(C)C=CC=CC(=O)N1.
What is the InChIKey of (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione?
The InChIKey is WFXMQTMGSKUVDW-IHHASZHGSA-N. The full InChI is InChI=1S/C27H37NO4/c1-4-5-6-7-14-23-20-24(29)18-17-21(2)12-8-10-15-25(30)26(31)19-22(3)13-9-11-16-27(32)28-23/h6-13,15-19,21,23,25-26,30-31H,4-5,14,20H2,1-3H3,(H,28,32)/b7-6?,12-8+,13-9?,15-10-,16-11?,18-17?,22-19?.
What are the key properties of (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione?
(11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione has a molecular weight of 439.60 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,13E)-20-hex-2-enyl-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,16-hexaene-2,18-dione is sourced from PubChem (CID 123414120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).