N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide

C16H18N2O3 — CID 63753586

IUPACN-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CN)c2ccccc2)c1O
InChIInChI=1S/C16H18N2O3/c1-21-14-9-5-8-12(15(14)19)16(20)18-13(10-17)11-6-3-2-4-7-11/h2-9,13,19H,10,17H2,1H3,(H,18,20)
InChIKeyWCJIKMOFGOBZAG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide

N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 63753586) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
PubChem CID63753586
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CN)c2ccccc2)c1O
InChIInChI=1S/C16H18N2O3/c1-21-14-9-5-8-12(15(14)19)16(20)18-13(10-17)11-6-3-2-4-7-11/h2-9,13,19H,10,17H2,1H3,(H,18,20)
InChIKeyWCJIKMOFGOBZAG-UHFFFAOYSA-N
XLogP1.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide (CID 63753586) is N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NC(CN)c2ccccc2)c1O.
What is the InChIKey of N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is WCJIKMOFGOBZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-9-5-8-12(15(14)19)16(20)18-13(10-17)11-6-3-2-4-7-11/h2-9,13,19H,10,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide?
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 63753586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).