(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid

C21H26N2O4 — CID 119367704

IUPAC(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
SMILESCCN(CC)CCOc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-23(4-2)14-15-27-18-12-10-17(11-13-18)20(24)22-19(21(25)26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,24)(H,25,26)/t19-/m1/s1
InChIKeyWMEZFTVZSWVNJG-LJQANCHMSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds10

About (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid

(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid (PubChem CID 119367704) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
PubChem CID119367704
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
SMILESCCN(CC)CCOc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-23(4-2)14-15-27-18-12-10-17(11-13-18)20(24)22-19(21(25)26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,24)(H,25,26)/t19-/m1/s1
InChIKeyWMEZFTVZSWVNJG-LJQANCHMSA-N
XLogP2.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367835
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid (CID 119367704) is (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid is CCN(CC)CCOc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid?
The InChIKey is WMEZFTVZSWVNJG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-23(4-2)14-15-27-18-12-10-17(11-13-18)20(24)22-19(21(25)26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,24)(H,25,26)/t19-/m1/s1.
What are the key properties of (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid?
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid has a molecular weight of 370.45 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).