2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide

C14H22N2O2 — CID 115179983

IUPAC2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CN(C)C(=O)C(N)CO)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-11(3)12(6-10(9)2)7-16(4)14(18)13(15)8-17/h5-6,13,17H,7-8,15H2,1-4H3
InChIKeyLYYMZDNHPDBPTG-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide

2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide (PubChem CID 115179983) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
PubChem CID115179983
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CN(C)C(=O)C(N)CO)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-5-11(3)12(6-10(9)2)7-16(4)14(18)13(15)8-17/h5-6,13,17H,7-8,15H2,1-4H3
InChIKeyLYYMZDNHPDBPTG-UHFFFAOYSA-N
XLogP0.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163709
N-methyl-3-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115167953
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161611
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide (CID 115179983) is 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide is Cc1cc(C)c(CN(C)C(=O)C(N)CO)cc1C.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
The InChIKey is LYYMZDNHPDBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-11(3)12(6-10(9)2)7-16(4)14(18)13(15)8-17/h5-6,13,17H,7-8,15H2,1-4H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide?
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 0.89, 4 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-[(2,4,5-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).