4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride

C10H15ClN2O2 — CID 66653312

IUPAC4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride
SMILESCl.NC(=O)CCC(N)c1ccccc1O
InChIInChI=1S/C10H14N2O2.ClH/c11-8(5-6-10(12)14)7-3-1-2-4-9(7)13;/h1-4,8,13H,5-6,11H2,(H2,12,14);1H
InChIKeyVJZRSFLYXMHUEZ-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride

4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride (PubChem CID 66653312) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride
PubChem CID66653312
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride
SMILESCl.NC(=O)CCC(N)c1ccccc1O
InChIInChI=1S/C10H14N2O2.ClH/c11-8(5-6-10(12)14)7-3-1-2-4-9(7)13;/h1-4,8,13H,5-6,11H2,(H2,12,14);1H
InChIKeyVJZRSFLYXMHUEZ-UHFFFAOYSA-N
XLogP1.08
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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4-amino-4-thiophen-2-ylbutanamide
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4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
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CID 150620616
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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride (CID 66653312) is 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride is Cl.NC(=O)CCC(N)c1ccccc1O.
What is the InChIKey of 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride?
The InChIKey is VJZRSFLYXMHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-8(5-6-10(12)14)7-3-1-2-4-9(7)13;/h1-4,8,13H,5-6,11H2,(H2,12,14);1H.
What are the key properties of 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride?
4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 66653312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).