2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide

C13H20N2O2 — CID 115179916

IUPAC2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)CO)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-4-5-11(10(3)9(8)2)6-15-13(17)12(14)7-16/h4-5,12,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyTYTLGXSHUVTOKS-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.55
Rot. Bonds4

About 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide

2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide (PubChem CID 115179916) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
PubChem CID115179916
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)CO)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-4-5-11(10(3)9(8)2)6-15-13(17)12(14)7-16/h4-5,12,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyTYTLGXSHUVTOKS-UHFFFAOYSA-N
XLogP0.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
N'-[(2,3,4-trimethylphenyl)methyl]oxamide
CID 115191898
2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179929
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
CID 55301711
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide (CID 115179916) is 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(N)CO)c(C)c1C.
What is the InChIKey of 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
The InChIKey is TYTLGXSHUVTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-4-5-11(10(3)9(8)2)6-15-13(17)12(14)7-16/h4-5,12,16H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide?
2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115179916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).