2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide

C16H18N2O2 — CID 63184679

IUPAC2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-6-5-9-13(17)15(11)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10,17H2,1H3,(H,18,20)
InChIKeyHLGCKCSKFZYJII-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide

2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide (PubChem CID 63184679) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
PubChem CID63184679
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-6-5-9-13(17)15(11)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10,17H2,1H3,(H,18,20)
InChIKeyHLGCKCSKFZYJII-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861743
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide (CID 63184679) is 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide?
The InChIKey is HLGCKCSKFZYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-5-9-13(17)15(11)16(20)18-14(10-19)12-7-3-2-4-8-12/h2-9,14,19H,10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide?
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide is sourced from PubChem (CID 63184679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).