5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide

C17H20N2O2 — CID 105057681

IUPAC5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12-8-9-14(18)10-15(12)16(21)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,20H,11,18H2,1-2H3,(H,19,21)
InChIKeyRMMOONIFYVXMGV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds4

About 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide

5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide (PubChem CID 105057681) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
PubChem CID105057681
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12-8-9-14(18)10-15(12)16(21)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,20H,11,18H2,1-2H3,(H,19,21)
InChIKeyRMMOONIFYVXMGV-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide (CID 105057681) is 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide?
The InChIKey is RMMOONIFYVXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-9-14(18)10-15(12)16(21)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,20H,11,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide?
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 105057681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).