3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride

C20H24ClN3O2 — CID 119949951

IUPAC3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)c1nc2cc(NC(=O)CC(N)c3ccccc3)ccc2o1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-20(2,3)19-23-16-11-14(9-10-17(16)25-19)22-18(24)12-15(21)13-7-5-4-6-8-13;/h4-11,15H,12,21H2,1-3H3,(H,22,24);1H
InChIKeyWEKDRFKUKMBUNC-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.58
Rot. Bonds4

About 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119949951) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119949951
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)c1nc2cc(NC(=O)CC(N)c3ccccc3)ccc2o1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-20(2,3)19-23-16-11-14(9-10-17(16)25-19)22-18(24)12-15(21)13-7-5-4-6-8-13;/h4-11,15H,12,21H2,1-3H3,(H,22,24);1H
InChIKeyWEKDRFKUKMBUNC-UHFFFAOYSA-N
XLogP4.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
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CID 120985693
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
methyl 2-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117412370
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxamide
CID 126839938
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 38234162

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride (CID 119949951) is 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride is CC(C)(C)c1nc2cc(NC(=O)CC(N)c3ccccc3)ccc2o1.Cl.
What is the InChIKey of 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is WEKDRFKUKMBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-20(2,3)19-23-16-11-14(9-10-17(16)25-19)22-18(24)12-15(21)13-7-5-4-6-8-13;/h4-11,15H,12,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).