2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide

C20H24N2O3 — CID 2216687

IUPAC2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-13(25-15-11-9-14(10-12-15)20(2,3)4)19(24)22-17-8-6-5-7-16(17)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m1/s1
InChIKeyVICGCFJXTLEMSF-CYBMUJFWSA-N
MW340.42 g/mol
LogP3.49
Rot. Bonds5

About 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide

2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide (PubChem CID 2216687) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
PubChem CID2216687
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-13(25-15-11-9-14(10-12-15)20(2,3)4)19(24)22-17-8-6-5-7-16(17)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m1/s1
InChIKeyVICGCFJXTLEMSF-CYBMUJFWSA-N
XLogP3.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
CID 55984335
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide (CID 2216687) is 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide?
The InChIKey is VICGCFJXTLEMSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(25-15-11-9-14(10-12-15)20(2,3)4)19(24)22-17-8-6-5-7-16(17)18(21)23/h5-13H,1-4H3,(H2,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide?
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 2216687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).