N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride

C11H16ClN3O2 — CID 119261426

IUPACN-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-7(12)11(16)14-10-5-3-9(4-6-10)13-8(2)15;/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16);1H
InChIKeyPWJSQNOGIYKDLY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.35
Rot. Bonds3

About N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride

N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride (PubChem CID 119261426) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
PubChem CID119261426
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-7(12)11(16)14-10-5-3-9(4-6-10)13-8(2)15;/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16);1H
InChIKeyPWJSQNOGIYKDLY-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride?
The IUPAC name of N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride (CID 119261426) is N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride.
What is the SMILES notation for N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride?
The canonical SMILES for N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C(C)N)cc1.Cl.
What is the InChIKey of N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride?
The InChIKey is PWJSQNOGIYKDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c1-7(12)11(16)14-10-5-3-9(4-6-10)13-8(2)15;/h3-7H,12H2,1-2H3,(H,13,15)(H,14,16);1H.
What are the key properties of N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride?
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119261426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).