(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid

C20H23NO5 — CID 59033473

IUPAC(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid
SMILESCCOC(C)O[C@@H](C(=O)O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-25-14(2)26-18(20(23)24)17(15-10-6-4-7-11-15)21-19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3,(H,21,22)(H,23,24)/t14?,17?,18-/m1/s1
InChIKeyOKSZFAMAFLHYNJ-IUPXNIOVSA-N
MW357.41 g/mol
LogP3.01
Rot. Bonds9

About (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid

(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid (PubChem CID 59033473) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid
PubChem CID59033473
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid
SMILESCCOC(C)O[C@@H](C(=O)O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-25-14(2)26-18(20(23)24)17(15-10-6-4-7-11-15)21-19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3,(H,21,22)(H,23,24)/t14?,17?,18-/m1/s1
InChIKeyOKSZFAMAFLHYNJ-IUPXNIOVSA-N
XLogP3.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-benzamido-3-phenyl-2-phosphanyloxypropanoic acid
CID 71168164
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
methyl (2S,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate
CID 11110608
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
(2R,3S)-2-(2-ethoxypropoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 141235354
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
N-[phenyl(propan-2-yloxy)methyl]benzamide
CID 15112184

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid?
The IUPAC name of (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid (CID 59033473) is (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid is CCOC(C)O[C@@H](C(=O)O)C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid?
The InChIKey is OKSZFAMAFLHYNJ-IUPXNIOVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-14(2)26-18(20(23)24)17(15-10-6-4-7-11-15)21-19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3,(H,21,22)(H,23,24)/t14?,17?,18-/m1/s1.
What are the key properties of (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid?
(2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzamido-2-(1-ethoxyethoxy)-3-phenylpropanoic acid is sourced from PubChem (CID 59033473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).