5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide

C17H20N2O2 — CID 102705550

IUPAC5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(CO)c2ccccc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-8-12(2)15(18)9-14(11)17(21)19-16(10-20)13-6-4-3-5-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21)
InChIKeySHXMETRHYGQRFR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide

5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide (PubChem CID 102705550) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
PubChem CID102705550
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(CO)c2ccccc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-11-8-12(2)15(18)9-14(11)17(21)19-16(10-20)13-6-4-3-5-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21)
InChIKeySHXMETRHYGQRFR-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
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

2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861769
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide (CID 102705550) is 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC(CO)c2ccccc2)cc1N.
What is the InChIKey of 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide?
The InChIKey is SHXMETRHYGQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-8-12(2)15(18)9-14(11)17(21)19-16(10-20)13-6-4-3-5-7-13/h3-9,16,20H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide?
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).