(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid

C18H19NO4 — CID 7137692

IUPAC(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C18H19NO4/c1-11-4-9-16(12(2)10-11)19-17(20)14-5-7-15(8-6-14)23-13(3)18(21)22/h4-10,13H,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyHGXYFQLPVILMDL-CYBMUJFWSA-N
MW313.35 g/mol
LogP3.41
Rot. Bonds5

About (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid

(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid (PubChem CID 7137692) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
PubChem CID7137692
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C18H19NO4/c1-11-4-9-16(12(2)10-11)19-17(20)14-5-7-15(8-6-14)23-13(3)18(21)22/h4-10,13H,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1
InChIKeyHGXYFQLPVILMDL-CYBMUJFWSA-N
XLogP3.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3712073
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17141485
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid (CID 7137692) is (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid is Cc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)O)cc2)c(C)c1.
What is the InChIKey of (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid?
The InChIKey is HGXYFQLPVILMDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-4-9-16(12(2)10-11)19-17(20)14-5-7-15(8-6-14)23-13(3)18(21)22/h4-10,13H,1-3H3,(H,19,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid?
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid is sourced from PubChem (CID 7137692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).