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

C20H35NO3 — CID 144859918

IUPAC(13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESC/C1=C/CCNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1
InChIInChI=1S/C20H35NO3/c1-14-8-6-9-15(2)12-16(3)19(24)20(4,5)17(22)13-18(23)21-11-7-10-14/h10,15-17,22H,6-9,11-13H2,1-5H3,(H,21,23)/b14-10-
InChIKeyYWFRSPPPRSGVCX-UVTDQMKNSA-N
MW337.50 g/mol
LogP3.63
Rot. Bonds

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

(13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione (PubChem CID 144859918) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name(13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
PubChem CID144859918
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESC/C1=C/CCNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1
InChIInChI=1S/C20H35NO3/c1-14-8-6-9-15(2)12-16(3)19(24)20(4,5)17(22)13-18(23)21-11-7-10-14/h10,15-17,22H,6-9,11-13H2,1-5H3,(H,21,23)/b14-10-
InChIKeyYWFRSPPPRSGVCX-UVTDQMKNSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-butyl-2,2-difluoro-3-hydroxy-5,9-dimethyldec-8-enamide
CID 85734617
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
5,5,9,13-Tetramethyl-7-[2-(oxiran-2-yl)ethyl]-1-azacyclohexadec-13-ene-2,6-dione
CID 57046553
(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
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
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]propan-2-imine;(4S,9S,11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione;propane
CID 142177223
(4S,7R,8S,9S,11E,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177233
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]butan-2-imine;(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247798
ethane;3-hydroxy-4,4,6,8,12-pentamethyl-15-(methylamino)-5-oxopentadecanal;N-methylmethanamine;(6E,8Z)-7-methyl-4-methylidenedeca-1,6,8-triene
CID 142247804

Frequently Asked Questions

What is the IUPAC name of (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The IUPAC name of (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione (CID 144859918) is (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione is C/C1=C/CCNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1.
What is the InChIKey of (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The InChIKey is YWFRSPPPRSGVCX-UVTDQMKNSA-N. The full InChI is InChI=1S/C20H35NO3/c1-14-8-6-9-15(2)12-16(3)19(24)20(4,5)17(22)13-18(23)21-11-7-10-14/h10,15-17,22H,6-9,11-13H2,1-5H3,(H,21,23)/b14-10-.
What are the key properties of (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione?
(13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione has a molecular weight of 337.50 g/mol, XLogP of 3.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 144859918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).