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

C20H35NO3 — CID 142247820

IUPAC(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESCC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)C1
InChIInChI=1S/C20H35NO3/c1-14-9-7-6-8-10-15(2)13-21-18(23)12-17(22)20(4,5)19(24)16(3)11-14/h8,10,14-17,22H,6-7,9,11-13H2,1-5H3,(H,21,23)/b10-8-/t14?,15-,16?,17?/m0/s1
InChIKeyZWCSUVIRVFIVAZ-NTHIJHEJSA-N
MW337.50 g/mol
LogP3.49
Rot. Bonds

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

(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione (PubChem CID 142247820) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
PubChem CID142247820
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESCC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)C1
InChIInChI=1S/C20H35NO3/c1-14-9-7-6-8-10-15(2)13-21-18(23)12-17(22)20(4,5)19(24)16(3)11-14/h8,10,14-17,22H,6-7,9,11-13H2,1-5H3,(H,21,23)/b10-8-/t14?,15-,16?,17?/m0/s1
InChIKeyZWCSUVIRVFIVAZ-NTHIJHEJSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 53.49
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-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione with MolForge

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Related Compounds

3-[(E)-but-2-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
CID 18343642
(13Z)-15-acetyl-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-azacyclopentadec-13-ene-2,6-dione
CID 44223668
(12R)-2-hexyl-N-[4-[2-(hexylamino)ethyl]heptyl]-12-hydroxyoctadec-9-enamide
CID 54467729
(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methylnonyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide
CID 58914662
(E,2S,3R,4R)-2-(5-deuterio-2-oxopentyl)-N-ethyl-3-hydroxy-4-methylhept-5-enamide
CID 89828755
(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-azacyclododec-9-ene-2,8-dione
CID 122230004
(Z)-12-hydroxy-N,13-dimethyloctadec-9-enamide
CID 122629927
3,5-dihydroxy-4-methyl-N-(3-methylbutan-2-yl)-2-(3-oxobutyl)oct-6-enamide
CID 123273701
7-Hydroxy-8,8,10,12,16-pentamethyl-4-azatricyclo[14.2.0.01,17]octadec-17-ene-5,9-dione
CID 123363413
N-[(Z)-6-hydroxy-5,7,10-trimethyl-8,12-dioxotridec-9-enyl]-3,4,5-trimethylheptanamide
CID 123766881
3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide
CID 123795700
3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one
CID 135161721

Frequently Asked Questions

What is the IUPAC name of (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The IUPAC name of (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione (CID 142247820) is (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione is CC1CCC/C=C\[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)C1.
What is the InChIKey of (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The InChIKey is ZWCSUVIRVFIVAZ-NTHIJHEJSA-N. The full InChI is InChI=1S/C20H35NO3/c1-14-9-7-6-8-10-15(2)13-21-18(23)12-17(22)20(4,5)19(24)16(3)11-14/h8,10,14-17,22H,6-7,9,11-13H2,1-5H3,(H,21,23)/b10-8-/t14?,15-,16?,17?/m0/s1.
What are the key properties of (13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione has a molecular weight of 337.50 g/mol, XLogP of 3.49, 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-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 142247820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).