(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione

C19H33NO3 — CID 142247839

IUPAC(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESCC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)C(=O)C(C)C1
InChIInChI=1S/C19H33NO3/c1-13-8-6-5-7-9-14(2)12-20-18(22)11-17(21)16(4)19(23)15(3)10-13/h7,9,13-17,21H,5-6,8,10-12H2,1-4H3,(H,20,22)/b9-7-/t13?,14-,15?,16?,17?/m0/s1
InChIKeyKENUCOHMFICFHK-ZKZKLNKTSA-N
MW323.48 g/mol
LogP3.10
Rot. Bonds

About (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione

(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione (PubChem CID 142247839) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione
PubChem CID142247839
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESCC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)C(=O)C(C)C1
InChIInChI=1S/C19H33NO3/c1-13-8-6-5-7-9-14(2)12-20-18(22)11-17(21)16(4)19(23)15(3)10-13/h7,9,13-17,21H,5-6,8,10-12H2,1-4H3,(H,20,22)/b9-7-/t13?,14-,15?,16?,17?/m0/s1
InChIKeyKENUCOHMFICFHK-ZKZKLNKTSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione with MolForge

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Related Compounds

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(12R)-2-hexyl-N-[4-[2-(hexylamino)ethyl]heptyl]-12-hydroxyoctadec-9-enamide
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(12E,14Z)-N-(1,5-dihydroxy-4-methyloctadecan-3-yl)icosa-12,14-dienamide
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N-(1,5-dihydroxy-4-methyloctadecan-3-yl)icosa-12,14-dienamide
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(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-azacyclododec-9-ene-2,8-dione
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(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide
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3,5-dihydroxy-4-methyl-N-(3-methylbutan-2-yl)-2-(3-oxobutyl)oct-6-enamide
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7-Hydroxy-8,8,10,12,16-pentamethyl-4-azatricyclo[14.2.0.01,17]octadec-17-ene-5,9-dione
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Frequently Asked Questions

What is the IUPAC name of (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione?
The IUPAC name of (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione (CID 142247839) is (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione is CC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)C(=O)C(C)C1.
What is the InChIKey of (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione?
The InChIKey is KENUCOHMFICFHK-ZKZKLNKTSA-N. The full InChI is InChI=1S/C19H33NO3/c1-13-8-6-5-7-9-14(2)12-20-18(22)11-17(21)16(4)19(23)15(3)10-13/h7,9,13-17,21H,5-6,8,10-12H2,1-4H3,(H,20,22)/b9-7-/t13?,14-,15?,16?,17?/m0/s1.
What are the key properties of (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione?
(13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione has a molecular weight of 323.48 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,15S)-4-hydroxy-5,7,9,15-tetramethyl-1-azacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 142247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).