N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide

C17H20N2O2 — CID 80743723

IUPACN-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-2-10-19(15-8-5-7-14(18)12-15)17(21)11-13-6-3-4-9-16(13)20/h3-9,12,20H,2,10-11,18H2,1H3
InChIKeyWZTWKQYEPANDDS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds5

About N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide

N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide (PubChem CID 80743723) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
PubChem CID80743723
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-2-10-19(15-8-5-7-14(18)12-15)17(21)11-13-6-3-4-9-16(13)20/h3-9,12,20H,2,10-11,18H2,1H3
InChIKeyWZTWKQYEPANDDS-UHFFFAOYSA-N
XLogP2.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
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-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide (CID 80743723) is N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide is CCCN(C(=O)Cc1ccccc1O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide?
The InChIKey is WZTWKQYEPANDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-10-19(15-8-5-7-14(18)12-15)17(21)11-13-6-3-4-9-16(13)20/h3-9,12,20H,2,10-11,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide?
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide is sourced from PubChem (CID 80743723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).