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

C21H37NO3 — CID 142247799

IUPAC(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESC/C1=C/[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1
InChIInChI=1S/C21H37NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h10,15-18,23H,7-9,11-13H2,1-6H3,(H,22,24)/b14-10-/t15?,16-,17?,18?/m0/s1
InChIKeyRTHADWXJQWICSJ-AGZOVFMESA-N
MW351.53 g/mol
LogP3.88
Rot. Bonds

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

(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione (PubChem CID 142247799) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
PubChem CID142247799
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
SMILESC/C1=C/[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1
InChIInChI=1S/C21H37NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h10,15-18,23H,7-9,11-13H2,1-6H3,(H,22,24)/b14-10-/t15?,16-,17?,18?/m0/s1
InChIKeyRTHADWXJQWICSJ-AGZOVFMESA-N
XLogP3.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 53.88
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-5,5,7,9,13,15-hexamethyl-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,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The IUPAC name of (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione (CID 142247799) is (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione is C/C1=C/[C@H](C)CNC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC1.
What is the InChIKey of (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione?
The InChIKey is RTHADWXJQWICSJ-AGZOVFMESA-N. The full InChI is InChI=1S/C21H37NO3/c1-14-8-7-9-15(2)11-17(4)20(25)21(5,6)18(23)12-19(24)22-13-16(3)10-14/h10,15-18,23H,7-9,11-13H2,1-6H3,(H,22,24)/b14-10-/t15?,16-,17?,18?/m0/s1.
What are the key properties of (13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione?
(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione has a molecular weight of 351.53 g/mol, XLogP of 3.88, 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-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 142247799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).