2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide

C14H22N2O3 — CID 115179737

IUPAC2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
SMILESCOc1cc(C(C)C)ccc1N(C)C(=O)C(N)CO
InChIInChI=1S/C14H22N2O3/c1-9(2)10-5-6-12(13(7-10)19-4)16(3)14(18)11(15)8-17/h5-7,9,11,17H,8,15H2,1-4H3
InChIKeyYNTWELVOMVUDTH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide

2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide (PubChem CID 115179737) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
PubChem CID115179737
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
SMILESCOc1cc(C(C)C)ccc1N(C)C(=O)C(N)CO
InChIInChI=1S/C14H22N2O3/c1-9(2)10-5-6-12(13(7-10)19-4)16(3)14(18)11(15)8-17/h5-7,9,11,17H,8,15H2,1-4H3
InChIKeyYNTWELVOMVUDTH-UHFFFAOYSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
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-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide (CID 115179737) is 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide is COc1cc(C(C)C)ccc1N(C)C(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide?
The InChIKey is YNTWELVOMVUDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)10-5-6-12(13(7-10)19-4)16(3)14(18)11(15)8-17/h5-7,9,11,17H,8,15H2,1-4H3.
What are the key properties of 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide?
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115179737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).