2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide

C14H22N2O2 — CID 115179748

IUPAC2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)C(N)CO
InChIInChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)13(7-11)16(4)14(18)12(15)8-17/h5-7,9,12,17H,8,15H2,1-4H3
InChIKeyGYBGPRZXDZDDHG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide

2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide (PubChem CID 115179748) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
PubChem CID115179748
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)C(N)CO
InChIInChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)13(7-11)16(4)14(18)12(15)8-17/h5-7,9,12,17H,8,15H2,1-4H3
InChIKeyGYBGPRZXDZDDHG-UHFFFAOYSA-N
XLogP1.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
CID 115176806
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide (CID 115179748) is 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide is Cc1ccc(C(C)C)cc1N(C)C(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The InChIKey is GYBGPRZXDZDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)13(7-11)16(4)14(18)12(15)8-17/h5-7,9,12,17H,8,15H2,1-4H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 115179748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).