4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid

C19H21NO4 — CID 119186471

IUPAC4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(12-17(21)14-6-4-13(2)5-7-14)18(22)15-8-10-16(11-9-15)19(23)24/h4-11,17,21H,3,12H2,1-2H3,(H,23,24)
InChIKeyFSNCUDPULAQWPP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.89
Rot. Bonds6

About 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid

4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid (PubChem CID 119186471) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
PubChem CID119186471
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-3-20(12-17(21)14-6-4-13(2)5-7-14)18(22)15-8-10-16(11-9-15)19(23)24/h4-11,17,21H,3,12H2,1-2H3,(H,23,24)
InChIKeyFSNCUDPULAQWPP-UHFFFAOYSA-N
XLogP2.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110014885
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 97099338
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
CID 119139225
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 111758398

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid (CID 119186471) is 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid is CCN(CC(O)c1ccc(C)cc1)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid?
The InChIKey is FSNCUDPULAQWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20(12-17(21)14-6-4-13(2)5-7-14)18(22)15-8-10-16(11-9-15)19(23)24/h4-11,17,21H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid?
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 119186471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).