2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride

C13H21ClN2O — CID 90674116

IUPAC2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H
InChIKeyCKGMMDQFEXPRDN-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.69
Rot. Bonds2

About 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride

2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride (PubChem CID 90674116) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride
PubChem CID90674116
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H
InChIKeyCKGMMDQFEXPRDN-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride (CID 90674116) is 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride is CC(N)C(=O)Nc1ccccc1C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride?
The InChIKey is CKGMMDQFEXPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h5-9H,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride?
2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 90674116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).