(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione

C21H35NO4 — CID 142099495

IUPAC(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione
SMILESC/C1=C/CCN(C)C(=O)C[C@H](O)C(C)(C)C(=O)C(C)C[C@@H](C)C(=O)CC1
InChIInChI=1S/C21H35NO4/c1-14-8-7-11-22(6)19(25)13-18(24)21(4,5)20(26)16(3)12-15(2)17(23)10-9-14/h8,15-16,18,24H,7,9-13H2,1-6H3/b14-8-/t15-,16?,18+/m1/s1
InChIKeyHPIPHSOCDKGJTO-AWUINLEFSA-N
MW365.51 g/mol
LogP3.15
Rot. Bonds

About (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione

(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione (PubChem CID 142099495) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione.

Molecular Properties

Compound Name(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione
PubChem CID142099495
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Name(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione
SMILESC/C1=C/CCN(C)C(=O)C[C@H](O)C(C)(C)C(=O)C(C)C[C@@H](C)C(=O)CC1
InChIInChI=1S/C21H35NO4/c1-14-8-7-11-22(6)19(25)13-18(24)21(4,5)20(26)16(3)12-15(2)17(23)10-9-14/h8,15-16,18,24H,7,9-13H2,1-6H3/b14-8-/t15-,16?,18+/m1/s1
InChIKeyHPIPHSOCDKGJTO-AWUINLEFSA-N
XLogP3.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(13Z)-15-acetyl-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-azacyclopentadec-13-ene-2,6-dione
CID 44223668
7-Hydroxy-8,8,10,12,16-pentamethyl-4-azatricyclo[14.2.0.01,17]octadec-17-ene-5,9-dione
CID 123363413
(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,N-diethyl-2-(1-hydroxyethyl)undec-10-enamide
CID 10945964
(Z,3S,8R)-15-(dimethylamino)-3-hydroxy-4,4,6,8,12-pentamethyl-5,9-dioxopentadec-12-enal
CID 142095332
(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione
CID 142095362
(11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177217
(4S,9S,11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177224
(4S,11E,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177252
(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177270
(13Z,15S)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247799
(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione
CID 142247820

Frequently Asked Questions

What is the IUPAC name of (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The IUPAC name of (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione (CID 142099495) is (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione.
What is the SMILES notation for (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The canonical SMILES for (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione is C/C1=C/CCN(C)C(=O)C[C@H](O)C(C)(C)C(=O)C(C)C[C@@H](C)C(=O)CC1.
What is the InChIKey of (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The InChIKey is HPIPHSOCDKGJTO-AWUINLEFSA-N. The full InChI is InChI=1S/C21H35NO4/c1-14-8-7-11-22(6)19(25)13-18(24)21(4,5)20(26)16(3)12-15(2)17(23)10-9-14/h8,15-16,18,24H,7,9-13H2,1-6H3/b14-8-/t15-,16?,18+/m1/s1.
What are the key properties of (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
(4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione has a molecular weight of 365.51 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9R,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadec-13-ene-2,6,10-trione is sourced from PubChem (CID 142099495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).