3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid

C19H21NO4 — CID 67625422

IUPAC3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
SMILESCC(C)(NC(=O)c1ccccc1)C(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-18(2,20-16(21)14-10-6-4-7-11-14)19(3,17(22)23)24-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,21)(H,22,23)
InChIKeyIPHJBNJORAFNES-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.12
Rot. Bonds6

About 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid

3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid (PubChem CID 67625422) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid.

Molecular Properties

Compound Name3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
PubChem CID67625422
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
SMILESCC(C)(NC(=O)c1ccccc1)C(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-18(2,20-16(21)14-10-6-4-7-11-14)19(3,17(22)23)24-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,21)(H,22,23)
InChIKeyIPHJBNJORAFNES-UHFFFAOYSA-N
XLogP3.12
TPSA75.63 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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
(1-benzamido-1-carboxyethyl)-triphenylphosphanium
CID 24827846
methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
CID 6158288

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid?
The IUPAC name of 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid (CID 67625422) is 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid.
What is the SMILES notation for 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid?
The canonical SMILES for 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid is CC(C)(NC(=O)c1ccccc1)C(C)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid?
The InChIKey is IPHJBNJORAFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-18(2,20-16(21)14-10-6-4-7-11-14)19(3,17(22)23)24-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid?
3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid is sourced from PubChem (CID 67625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).