2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid

C17H23N3O5S — CID 174299048

IUPAC2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
SMILESCC(N)(Cc1ccc(OCc2ccncc2)cc1)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C16H19N3O2.CH4O3S/c1-16(18,15(17)20)10-12-2-4-14(5-3-12)21-11-13-6-8-19-9-7-13;1-5(2,3)4/h2-9H,10-11,18H2,1H3,(H2,17,20);1H3,(H,2,3,4)
InChIKeyIWMHPMSVCUVTNE-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid

2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid (PubChem CID 174299048) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
PubChem CID174299048
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
SMILESCC(N)(Cc1ccc(OCc2ccncc2)cc1)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C16H19N3O2.CH4O3S/c1-16(18,15(17)20)10-12-2-4-14(5-3-12)21-11-13-6-8-19-9-7-13;1-5(2,3)4/h2-9H,10-11,18H2,1H3,(H2,17,20);1H3,(H,2,3,4)
InChIKeyIWMHPMSVCUVTNE-UHFFFAOYSA-N
XLogP0.91
TPSA145.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
CID 175087244
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
2-amino-2-methyl-3-(2-phenylmethoxyphenyl)propanamide;methanesulfonic acid
CID 174338786
4-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 66577943
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 67730824
3-[methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]propanoic acid
CID 119911946
(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
CID 171044369
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid?
The IUPAC name of 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid (CID 174299048) is 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid.
What is the SMILES notation for 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid?
The canonical SMILES for 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid is CC(N)(Cc1ccc(OCc2ccncc2)cc1)C(N)=O.CS(=O)(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid?
The InChIKey is IWMHPMSVCUVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.CH4O3S/c1-16(18,15(17)20)10-12-2-4-14(5-3-12)21-11-13-6-8-19-9-7-13;1-5(2,3)4/h2-9H,10-11,18H2,1H3,(H2,17,20);1H3,(H,2,3,4).
What are the key properties of 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid?
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid has a molecular weight of 381.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid is sourced from PubChem (CID 174299048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).