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

C19H31NO4 — CID 142095362

IUPAC(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione
SMILESC/C1=C/CCNC(=O)C[C@H](O)C(C)C(=O)C(C)CC(C)C(=O)CC1
InChIInChI=1S/C19H31NO4/c1-12-6-5-9-20-18(23)11-17(22)15(4)19(24)14(3)10-13(2)16(21)8-7-12/h6,13-15,17,22H,5,7-11H2,1-4H3,(H,20,23)/b12-6-/t13?,14?,15?,17-/m0/s1
InChIKeyJWNAPOWEFPNYTM-DKSPKQRJSA-N
MW337.46 g/mol
LogP2.42
Rot. Bonds

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

(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione (PubChem CID 142095362) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione.

Molecular Properties

Compound Name(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione
PubChem CID142095362
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione
SMILESC/C1=C/CCNC(=O)C[C@H](O)C(C)C(=O)C(C)CC(C)C(=O)CC1
InChIInChI=1S/C19H31NO4/c1-12-6-5-9-20-18(23)11-17(22)15(4)19(24)14(3)10-13(2)16(21)8-7-12/h6,13-15,17,22H,5,7-11H2,1-4H3,(H,20,23)/b12-6-/t13?,14?,15?,17-/m0/s1
InChIKeyJWNAPOWEFPNYTM-DKSPKQRJSA-N
XLogP2.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The IUPAC name of (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione (CID 142095362) is (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione.
What is the SMILES notation for (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The canonical SMILES for (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione is C/C1=C/CCNC(=O)C[C@H](O)C(C)C(=O)C(C)CC(C)C(=O)CC1.
What is the InChIKey of (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
The InChIKey is JWNAPOWEFPNYTM-DKSPKQRJSA-N. The full InChI is InChI=1S/C19H31NO4/c1-12-6-5-9-20-18(23)11-17(22)15(4)19(24)14(3)10-13(2)16(21)8-7-12/h6,13-15,17,22H,5,7-11H2,1-4H3,(H,20,23)/b12-6-/t13?,14?,15?,17-/m0/s1.
What are the key properties of (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione?
(4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione has a molecular weight of 337.46 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-azacyclohexadec-13-ene-2,6,10-trione is sourced from PubChem (CID 142095362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).