(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one

C23H29NO3 — CID 155552631

IUPAC(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one
SMILESCC1=C\[C@H](O)[C@H](O)/C=C\C=C\C=C\C=C\C=C/[C@H](C)CNC(=O)/C=C\C=C\1
InChIInChI=1S/C23H29NO3/c1-19-13-11-12-16-23(27)24-18-20(2)14-9-7-5-3-4-6-8-10-15-21(25)22(26)17-19/h3-17,20-22,25-26H,18H2,1-2H3,(H,24,27)/b4-3+,7-5+,8-6+,13-11+,14-9-,15-10-,16-12+,19-17+/t20-,21+,22-/m0/s1
InChIKeyUCCPCDUFJCGUEI-HZWIWOCBSA-N
MW367.49 g/mol
LogP3.31
Rot. Bonds

About (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one

(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one (PubChem CID 155552631) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one.

Molecular Properties

Compound Name(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one
PubChem CID155552631
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one
SMILESCC1=C\[C@H](O)[C@H](O)/C=C\C=C\C=C\C=C\C=C/[C@H](C)CNC(=O)/C=C\C=C\1
InChIInChI=1S/C23H29NO3/c1-19-13-11-12-16-23(27)24-18-20(2)14-9-7-5-3-4-6-8-10-15-21(25)22(26)17-19/h3-17,20-22,25-26H,18H2,1-2H3,(H,24,27)/b4-3+,7-5+,8-6+,13-11+,14-9-,15-10-,16-12+,19-17+/t20-,21+,22-/m0/s1
InChIKeyUCCPCDUFJCGUEI-HZWIWOCBSA-N
XLogP3.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one?
The IUPAC name of (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one (CID 155552631) is (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one.
What is the SMILES notation for (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one?
The canonical SMILES for (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one is CC1=C\[C@H](O)[C@H](O)/C=C\C=C\C=C\C=C\C=C/[C@H](C)CNC(=O)/C=C\C=C\1.
What is the InChIKey of (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one?
The InChIKey is UCCPCDUFJCGUEI-HZWIWOCBSA-N. The full InChI is InChI=1S/C23H29NO3/c1-19-13-11-12-16-23(27)24-18-20(2)14-9-7-5-3-4-6-8-10-15-21(25)22(26)17-19/h3-17,20-22,25-26H,18H2,1-2H3,(H,24,27)/b4-3+,7-5+,8-6+,13-11+,14-9-,15-10-,16-12+,19-17+/t20-,21+,22-/m0/s1.
What are the key properties of (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one?
(3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9S,10R,11Z,13E,15E,17Z,19Z,21S)-9,10-dihydroxy-7,21-dimethyl-1-azacyclodocosa-3,5,7,11,13,15,17,19-octaen-2-one is sourced from PubChem (CID 155552631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).