N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide

C15H16N2O3 — CID 107726326

IUPACN-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
SMILESNCC(NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h1-8,13,18-19H,9,16H2,(H,17,20)
InChIKeyRPTHEUFJLQUMNH-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.53
Rot. Bonds4

About N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide

N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide (PubChem CID 107726326) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
PubChem CID107726326
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
SMILESNCC(NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C15H16N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h1-8,13,18-19H,9,16H2,(H,17,20)
InChIKeyRPTHEUFJLQUMNH-UHFFFAOYSA-N
XLogP1.53
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673314
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide (CID 107726326) is N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide is NCC(NC(=O)c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide?
The InChIKey is RPTHEUFJLQUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h1-8,13,18-19H,9,16H2,(H,17,20).
What are the key properties of N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide?
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).