3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide

C13H20N2O2 — CID 106111839

IUPAC3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-9-4-6-11(7-5-9)10(2)15-13(16)12(8-14)17-3/h4-7,10,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMQPNYRQFOUESAF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds5

About 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide

3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 106111839) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID106111839
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-9-4-6-11(7-5-9)10(2)15-13(16)12(8-14)17-3/h4-7,10,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMQPNYRQFOUESAF-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 106112545
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
CID 106111769
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide (CID 106111839) is 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide is COC(CN)C(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is MQPNYRQFOUESAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-6-11(7-5-9)10(2)15-13(16)12(8-14)17-3/h4-7,10,12H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide?
3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 106111839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).