3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride

C18H23ClN2O2 — CID 120608791

IUPAC3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
SMILESCC(C)Oc1ccccc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyGYBDMXPGAJSRRI-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.05
Rot. Bonds6

About 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride (PubChem CID 120608791) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
PubChem CID120608791
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
SMILESCC(C)Oc1ccccc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyGYBDMXPGAJSRRI-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.05
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

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CID 55872825
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CID 120608637
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
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4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
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2-[3-(2-aminophenyl)propanoylamino]benzoic acid
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3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
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N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
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1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110678896

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride (CID 120608791) is 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride is CC(C)Oc1ccccc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride?
The InChIKey is GYBDMXPGAJSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120608791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).