3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide

C11H16N2O3 — CID 106113948

IUPAC3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccccc1O
InChIInChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-7-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeySAWXCVXRMCWBHB-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.02
Rot. Bonds5

About 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide

3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide (PubChem CID 106113948) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
PubChem CID106113948
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccccc1O
InChIInChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-7-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15)
InChIKeySAWXCVXRMCWBHB-UHFFFAOYSA-N
XLogP-0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 106113152
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 106112236
3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 106113222
3-[[(3-amino-2-methoxypropanoyl)amino]methyl]benzoic acid
CID 114145034
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
CID 106111827
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide (CID 106113948) is 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide is COC(CN)C(=O)NCc1ccccc1O.
What is the InChIKey of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide?
The InChIKey is SAWXCVXRMCWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-10(6-12)11(15)13-7-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide?
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide has a molecular weight of 224.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106113948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).