N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide

C16H18N2O2 — CID 107673314

IUPACN-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20)
InChIKeyRTFNUJUIYONNTQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.13
Rot. Bonds4

About N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide

N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107673314) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
PubChem CID107673314
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20)
InChIKeyRTFNUJUIYONNTQ-UHFFFAOYSA-N
XLogP2.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
CID 114823481
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide (CID 107673314) is N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is RTFNUJUIYONNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107673314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).