potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate

C20H22KNO4 — CID 167977502

IUPACpotassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
SMILESCc1cccc(C(C)(C)CNC(=O)c2ccc(CO)c(C(=O)[O-])c2)c1.[K+]
InChIInChI=1S/C20H23NO4.K/c1-13-5-4-6-16(9-13)20(2,3)12-21-18(23)14-7-8-15(11-22)17(10-14)19(24)25;/h4-10,22H,11-12H2,1-3H3,(H,21,23)(H,24,25);/q;+1/p-1
InChIKeyGBGYTMGLGPMGPG-UHFFFAOYSA-M
MW379.50 g/mol
LogP-1.44
Rot. Bonds6

About potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate

potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate (PubChem CID 167977502) has the molecular formula C20H22KNO4 and a molecular weight of 379.50 g/mol. Its IUPAC name is potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate.

Molecular Properties

Compound Namepotassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
PubChem CID167977502
Molecular FormulaC20H22KNO4
Molecular Weight379.50 g/mol
Exact Mass379.12
IUPAC Namepotassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
SMILESCc1cccc(C(C)(C)CNC(=O)c2ccc(CO)c(C(=O)[O-])c2)c1.[K+]
InChIInChI=1S/C20H23NO4.K/c1-13-5-4-6-16(9-13)20(2,3)12-21-18(23)14-7-8-15(11-22)17(10-14)19(24)25;/h4-10,22H,11-12H2,1-3H3,(H,21,23)(H,24,25);/q;+1/p-1
InChIKeyGBGYTMGLGPMGPG-UHFFFAOYSA-M
XLogP-1.44
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate 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

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055460
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 75386126
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768

Frequently Asked Questions

What is the IUPAC name of potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate?
The IUPAC name of potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate (CID 167977502) is potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate.
What is the SMILES notation for potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate?
The canonical SMILES for potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate is Cc1cccc(C(C)(C)CNC(=O)c2ccc(CO)c(C(=O)[O-])c2)c1.[K+].
What is the InChIKey of potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate?
The InChIKey is GBGYTMGLGPMGPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23NO4.K/c1-13-5-4-6-16(9-13)20(2,3)12-21-18(23)14-7-8-15(11-22)17(10-14)19(24)25;/h4-10,22H,11-12H2,1-3H3,(H,21,23)(H,24,25);/q;+1/p-1.
What are the key properties of potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate?
potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate has a molecular weight of 379.50 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate is sourced from PubChem (CID 167977502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).