CID 131885807

C26H43LiNO3 — CID 131885807

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)O)cc1.[Li]
InChIInChI=1S/C26H43NO3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);
InChIKeySVPQJOJXMQOMBE-UHFFFAOYSA-N
MW424.58 g/mol
LogP7.00
Rot. Bonds19

About CID 131885807

CID 131885807 (PubChem CID 131885807) has the molecular formula C26H43LiNO3 and a molecular weight of 424.58 g/mol.

Molecular Properties

Compound NameCID 131885807
PubChem CID131885807
Molecular FormulaC26H43LiNO3
Molecular Weight424.58 g/mol
Exact Mass424.34
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)O)cc1.[Li]
InChIInChI=1S/C26H43NO3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);
InChIKeySVPQJOJXMQOMBE-UHFFFAOYSA-N
XLogP7.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.58
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 131885807 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

4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-hydroxybenzamide
CID 15277871
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
4-bromo-N-pentylbenzamide
CID 4167913
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of CID 131885807?
The IUPAC name of CID 131885807 (CID 131885807) is not available.
What is the SMILES notation for CID 131885807?
The canonical SMILES for CID 131885807 is CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C(=O)O)cc1.[Li].
What is the InChIKey of CID 131885807?
The InChIKey is SVPQJOJXMQOMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);.
What are the key properties of CID 131885807?
CID 131885807 has a molecular weight of 424.58 g/mol, XLogP of 7.00, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131885807 is sourced from PubChem (CID 131885807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).