2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide

C13H20N2O2 — CID 115180130

IUPAC2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCN(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C13H20N2O2/c1-10-3-5-11(6-4-10)7-8-15(2)13(17)12(14)9-16/h3-6,12,16H,7-9,14H2,1-2H3
InChIKeyMXBMEFWDGABVTN-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.32
Rot. Bonds5

About 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide

2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 115180130) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID115180130
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCN(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C13H20N2O2/c1-10-3-5-11(6-4-10)7-8-15(2)13(17)12(14)9-16/h3-6,12,16H,7-9,14H2,1-2H3
InChIKeyMXBMEFWDGABVTN-UHFFFAOYSA-N
XLogP0.32
TPSA66.56 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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
CID 120670650
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
CID 115172601
methyl 2-[methyl-[2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 115142592

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide (CID 115180130) is 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCN(C)C(=O)C(N)CO)cc1.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is MXBMEFWDGABVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-5-11(6-4-10)7-8-15(2)13(17)12(14)9-16/h3-6,12,16H,7-9,14H2,1-2H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide?
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115180130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).