3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide

C13H19NO2 — CID 115139004

IUPAC3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-10(2)12(11(3)7-9)8-14-13(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyQWKILGBWEVDUNO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.61
Rot. Bonds4

About 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide

3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide (PubChem CID 115139004) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
PubChem CID115139004
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-10(2)12(11(3)7-9)8-14-13(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyQWKILGBWEVDUNO-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187295
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
2-(2-methoxyethylamino)-N-[(2,4,6-trimethylphenyl)methyl]acetamide;hydrochloride
CID 119716132

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide (CID 115139004) is 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide is Cc1cc(C)c(CNC(=O)CCO)c(C)c1.
What is the InChIKey of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide?
The InChIKey is QWKILGBWEVDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-10(2)12(11(3)7-9)8-14-13(16)4-5-15/h6-7,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide?
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115139004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).