2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid

C18H24N2O5S — CID 174338786

IUPAC2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid
SMILESCC(N)(Cc1ccccc1OCc1ccccc1)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C17H20N2O2.CH4O3S/c1-17(19,16(18)20)11-14-9-5-6-10-15(14)21-12-13-7-3-2-4-8-13;1-5(2,3)4/h2-10H,11-12,19H2,1H3,(H2,18,20);1H3,(H,2,3,4)
InChIKeyKUQLGFNYICGLEW-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.51
Rot. Bonds6

About 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid

2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid (PubChem CID 174338786) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid
PubChem CID174338786
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid
SMILESCC(N)(Cc1ccccc1OCc1ccccc1)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C17H20N2O2.CH4O3S/c1-17(19,16(18)20)11-14-9-5-6-10-15(14)21-12-13-7-3-2-4-8-13;1-5(2,3)4/h2-10H,11-12,19H2,1H3,(H2,18,20);1H3,(H,2,3,4)
InChIKeyKUQLGFNYICGLEW-UHFFFAOYSA-N
XLogP1.51
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
CID 174299048
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704
N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
CID 51123622
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
CID 66688579
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid?
The IUPAC name of 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid (CID 174338786) is 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid?
The canonical SMILES for 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid is CC(N)(Cc1ccccc1OCc1ccccc1)C(N)=O.CS(=O)(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid?
The InChIKey is KUQLGFNYICGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.CH4O3S/c1-17(19,16(18)20)11-14-9-5-6-10-15(14)21-12-13-7-3-2-4-8-13;1-5(2,3)4/h2-10H,11-12,19H2,1H3,(H2,18,20);1H3,(H,2,3,4).
What are the key properties of 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid?
2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid has a molecular weight of 380.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid is sourced from PubChem (CID 174338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).