CID 6331796

C20H23NNaO4 — CID 6331796

IUPAC—
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1.[Na]
InChIInChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);
InChIKeyFRALEEHVNHZMMR-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.35
Rot. Bonds6

About CID 6331796

CID 6331796 (PubChem CID 6331796) has the molecular formula C20H23NNaO4 and a molecular weight of 364.40 g/mol.

Molecular Properties

Compound NameCID 6331796
PubChem CID6331796
Molecular FormulaC20H23NNaO4
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name—
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1.[Na]
InChIInChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);
InChIKeyFRALEEHVNHZMMR-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
2-[[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]amino]pentanedioic acid
CID 22482942
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
(Z)-diethylamino-[2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoyl]peroxyimino-oxidoazanium
CID 118195895
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-phenylacetic acid
CID 20783005
4-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]oxane-4-carboxylic acid
CID 10619981
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
2-[4-[[benzyl-[2-(2,4-dimethylanilino)-2-oxoethyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 46890332
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030

Frequently Asked Questions

What is the IUPAC name of CID 6331796?
The IUPAC name of CID 6331796 (CID 6331796) is not available.
What is the SMILES notation for CID 6331796?
The canonical SMILES for CID 6331796 is Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1.[Na].
What is the InChIKey of CID 6331796?
The InChIKey is FRALEEHVNHZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);.
What are the key properties of CID 6331796?
CID 6331796 has a molecular weight of 364.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6331796 is sourced from PubChem (CID 6331796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).