2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate

C18H18NO5- — CID 6945837

IUPAC2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate
SMILESCc1ccc(OC[C@H](O)CNC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C18H19NO5/c1-12-6-8-14(9-7-12)24-11-13(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,13,20H,10-11H2,1H3,(H,19,21)(H,22,23)/p-1/t13-/m1/s1
InChIKeyNRYSQFHPXLNFCA-CYBMUJFWSA-M
MW328.34 g/mol
LogP0.53
Rot. Bonds7

About 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate (PubChem CID 6945837) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate
PubChem CID6945837
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate
SMILESCc1ccc(OC[C@H](O)CNC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C18H19NO5/c1-12-6-8-14(9-7-12)24-11-13(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,13,20H,10-11H2,1H3,(H,19,21)(H,22,23)/p-1/t13-/m1/s1
InChIKeyNRYSQFHPXLNFCA-CYBMUJFWSA-M
XLogP0.53
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2-methyl-3-nitrobenzamide
CID 94677634
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
CID 51089018
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate?
The IUPAC name of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate (CID 6945837) is 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate is Cc1ccc(OC[C@H](O)CNC(=O)c2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate?
The InChIKey is NRYSQFHPXLNFCA-CYBMUJFWSA-M. The full InChI is InChI=1S/C18H19NO5/c1-12-6-8-14(9-7-12)24-11-13(20)10-19-17(21)15-4-2-3-5-16(15)18(22)23/h2-9,13,20H,10-11H2,1H3,(H,19,21)(H,22,23)/p-1/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate?
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate has a molecular weight of 328.34 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate is sourced from PubChem (CID 6945837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).