4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid

C17H17NO4 — CID 129054309

IUPAC4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(17(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeySRIOBXKTOSWKPI-LLVKDONJSA-N
MW299.33 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid

4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid (PubChem CID 129054309) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
PubChem CID129054309
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(17(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeySRIOBXKTOSWKPI-LLVKDONJSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
2-[1-(4-methoxyphenyl)ethylcarbamoyl]terephthalic acid
CID 50876855
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132665450
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid (CID 129054309) is 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid is COc1ccc(C(=O)O)cc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid?
The InChIKey is SRIOBXKTOSWKPI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(17(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m1/s1.
What are the key properties of 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid?
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 129054309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).