(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione

C27H37NO4 — CID 58264975

IUPAC(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione
SMILESCCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C(O)/C=C(C)\C=C\C(=O)CC(=O)N1
InChIInChI=1S/C27H37NO4/c1-4-5-6-7-14-23-15-10-8-12-21(2)13-9-11-16-25(30)26(31)19-22(3)17-18-24(29)20-27(32)28-23/h6-13,16-19,23,25-26,30-31H,4-5,14-15,20H2,1-3H3,(H,28,32)/b7-6+,10-8+,13-9+,16-11-,18-17+,21-12+,22-19-
InChIKeyUEJISHKXZNXSEK-JEEAZDTFSA-N
MW439.60 g/mol
LogP4.42
Rot. Bonds4

About (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione

(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione (PubChem CID 58264975) has the molecular formula C27H37NO4 and a molecular weight of 439.60 g/mol. Its IUPAC name is (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione.

Molecular Properties

Compound Name(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione
PubChem CID58264975
Molecular FormulaC27H37NO4
Molecular Weight439.60 g/mol
Exact Mass439.27
IUPAC Name(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione
SMILESCCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C(O)/C=C(C)\C=C\C(=O)CC(=O)N1
InChIInChI=1S/C27H37NO4/c1-4-5-6-7-14-23-15-10-8-12-21(2)13-9-11-16-25(30)26(31)19-22(3)17-18-24(29)20-27(32)28-23/h6-13,16-19,23,25-26,30-31H,4-5,14-15,20H2,1-3H3,(H,28,32)/b7-6+,10-8+,13-9+,16-11-,18-17+,21-12+,22-19-
InChIKeyUEJISHKXZNXSEK-JEEAZDTFSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione?
The IUPAC name of (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione (CID 58264975) is (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione.
What is the SMILES notation for (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione?
The canonical SMILES for (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione is CCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C(O)/C=C(C)\C=C\C(=O)CC(=O)N1.
What is the InChIKey of (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione?
The InChIKey is UEJISHKXZNXSEK-JEEAZDTFSA-N. The full InChI is InChI=1S/C27H37NO4/c1-4-5-6-7-14-23-15-10-8-12-21(2)13-9-11-16-25(30)26(31)19-22(3)17-18-24(29)20-27(32)28-23/h6-13,16-19,23,25-26,30-31H,4-5,14-15,20H2,1-3H3,(H,28,32)/b7-6+,10-8+,13-9+,16-11-,18-17+,21-12+,22-19-.
What are the key properties of (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione?
(5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione has a molecular weight of 439.60 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-5,7,11,13,15,17-hexaene-2,4-dione is sourced from PubChem (CID 58264975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).