3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride

C14H23ClN2O — CID 119399933

IUPAC3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(15)9-13(17)16-12-8-6-5-7-11(12)14(2,3)4;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyGVEDKEOTITYJFX-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.08
Rot. Bonds3

About 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride

3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride (PubChem CID 119399933) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
PubChem CID119399933
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(15)9-13(17)16-12-8-6-5-7-11(12)14(2,3)4;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyGVEDKEOTITYJFX-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542622
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride (CID 119399933) is 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride is CC(N)CC(=O)Nc1ccccc1C(C)(C)C.Cl.
What is the InChIKey of 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride?
The InChIKey is GVEDKEOTITYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10(15)9-13(17)16-12-8-6-5-7-11(12)14(2,3)4;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride?
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119399933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).