N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide

C17H20N2O2 — CID 43459683

IUPACN-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccccc1O
InChIInChI=1S/C17H20N2O2/c1-2-10-19(12-13-6-5-7-14(18)11-13)17(21)15-8-3-4-9-16(15)20/h3-9,11,20H,2,10,12,18H2,1H3
InChIKeyIQSHSQSDZPTKEG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide

N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide (PubChem CID 43459683) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
PubChem CID43459683
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)c1ccccc1O
InChIInChI=1S/C17H20N2O2/c1-2-10-19(12-13-6-5-7-14(18)11-13)17(21)15-8-3-4-9-16(15)20/h3-9,11,20H,2,10,12,18H2,1H3
InChIKeyIQSHSQSDZPTKEG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
2-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60876866

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide (CID 43459683) is N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide is CCCN(Cc1cccc(N)c1)C(=O)c1ccccc1O.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide?
The InChIKey is IQSHSQSDZPTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-10-19(12-13-6-5-7-14(18)11-13)17(21)15-8-3-4-9-16(15)20/h3-9,11,20H,2,10,12,18H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide?
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide is sourced from PubChem (CID 43459683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).