3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride

C12H19ClN2O — CID 71828995

IUPAC3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyFPUWRKCAELFCRJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride

3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride (PubChem CID 71828995) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
PubChem CID71828995
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyFPUWRKCAELFCRJ-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride (CID 71828995) is 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride is CC(C)c1ccccc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The InChIKey is FPUWRKCAELFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 71828995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).