(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione

C26H46N4O3 — CID 158139874

IUPAC(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione
SMILESCC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCc1nn[nH]n1)C(C)=O
InChIInChI=1S/C26H46N4O3/c1-22(31)19-20-24(23(2)32)21-25(33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-27-29-30-28-26/h24H,3-21H2,1-2H3,(H,27,28,29,30)/t24-/m1/s1
InChIKeyURZCGSUXXFPWQB-XMMPIXPASA-N
MW462.68 g/mol
LogP6.13
Rot. Bonds23

About (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione

(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione (PubChem CID 158139874) has the molecular formula C26H46N4O3 and a molecular weight of 462.68 g/mol. Its IUPAC name is (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione.

Molecular Properties

Compound Name(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione
PubChem CID158139874
Molecular FormulaC26H46N4O3
Molecular Weight462.68 g/mol
Exact Mass462.36
IUPAC Name(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione
SMILESCC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCc1nn[nH]n1)C(C)=O
InChIInChI=1S/C26H46N4O3/c1-22(31)19-20-24(23(2)32)21-25(33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-27-29-30-28-26/h24H,3-21H2,1-2H3,(H,27,28,29,30)/t24-/m1/s1
InChIKeyURZCGSUXXFPWQB-XMMPIXPASA-N
XLogP6.13
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione 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

2-(Tetrazolylacetyl)cyclohexane-1,3-dione
CID 156598361
2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
CID 20631076
2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
CID 23431344
3,3,12,12-tetramethyl-1,14-bis(2H-tetrazol-5-yl)tetradecane-6,9-dione
CID 23431445
17-(2H-tetrazol-5-yl)heptadecan-2-one
CID 57817745
16-(2H-tetrazol-5-yl)hexadecan-2-one
CID 68231981
18-(2H-tetrazol-5-yl)octadecan-2-one
CID 68232172
1,1-bis(2H-tetrazol-5-yl)tetradecane-6,9-dione
CID 69537815
1,1-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
CID 69537834
1,5-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
CID 69537866
1,1-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
CID 69964612
1,2-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
CID 69987289

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione?
The IUPAC name of (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione (CID 158139874) is (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione.
What is the SMILES notation for (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione?
The canonical SMILES for (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione is CC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCc1nn[nH]n1)C(C)=O.
What is the InChIKey of (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione?
The InChIKey is URZCGSUXXFPWQB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H46N4O3/c1-22(31)19-20-24(23(2)32)21-25(33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-27-29-30-28-26/h24H,3-21H2,1-2H3,(H,27,28,29,30)/t24-/m1/s1.
What are the key properties of (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione?
(5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione has a molecular weight of 462.68 g/mol, XLogP of 6.13, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyl-23-(2H-tetrazol-5-yl)tricosane-2,7-dione is sourced from PubChem (CID 158139874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).