N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride

C12H19ClN2O2 — CID 119422035

IUPACN-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
SMILESCC(C)OCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9(2)16-8-7-12(15)14-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyNZFUUZKNUNEJCH-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.44
Rot. Bonds5

About N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride

N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride (PubChem CID 119422035) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
PubChem CID119422035
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
SMILESCC(C)OCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9(2)16-8-7-12(15)14-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H
InChIKeyNZFUUZKNUNEJCH-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
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N-(2-aminophenyl)-3-phenoxypropanamide
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N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
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N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486961
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
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CID 119422200

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride (CID 119422035) is N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride is CC(C)OCCC(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The InChIKey is NZFUUZKNUNEJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-9(2)16-8-7-12(15)14-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride?
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride is sourced from PubChem (CID 119422035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).