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

C14H22N2O2 — CID 115180425

IUPAC3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)C(O)CN
InChIInChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)12(7-11)16(4)14(18)13(17)8-15/h5-7,9,13,17H,8,15H2,1-4H3
InChIKeyFQCYXDLHCNEEJT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds4

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

3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide (PubChem CID 115180425) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
PubChem CID115180425
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)cc1N(C)C(=O)C(O)CN
InChIInChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)12(7-11)16(4)14(18)13(17)8-15/h5-7,9,13,17H,8,15H2,1-4H3
InChIKeyFQCYXDLHCNEEJT-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide (CID 115180425) is 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide is Cc1ccc(C(C)C)cc1N(C)C(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
The InChIKey is FQCYXDLHCNEEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)11-6-5-10(3)12(7-11)16(4)14(18)13(17)8-15/h5-7,9,13,17H,8,15H2,1-4H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide?
3-amino-2-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 3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 115180425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).