N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide

C17H20N2O2 — CID 82809597

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cccc(O)c1C
InChIInChI=1S/C17H20N2O2/c1-3-19(11-13-7-9-14(18)10-8-13)17(21)15-5-4-6-16(20)12(15)2/h4-10,20H,3,11,18H2,1-2H3
InChIKeyFLIPZOVEGZPASW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide

N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide (PubChem CID 82809597) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
PubChem CID82809597
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cccc(O)c1C
InChIInChI=1S/C17H20N2O2/c1-3-19(11-13-7-9-14(18)10-8-13)17(21)15-5-4-6-16(20)12(15)2/h4-10,20H,3,11,18H2,1-2H3
InChIKeyFLIPZOVEGZPASW-UHFFFAOYSA-N
XLogP2.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide (CID 82809597) is N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide is CCN(Cc1ccc(N)cc1)C(=O)c1cccc(O)c1C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide?
The InChIKey is FLIPZOVEGZPASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(11-13-7-9-14(18)10-8-13)17(21)15-5-4-6-16(20)12(15)2/h4-10,20H,3,11,18H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide?
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82809597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).