2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

C16H25NO2 — CID 115187295

IUPAC2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(CO)C(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)15(9-18)16(19)17-8-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyXAWYRYWZOXAHOL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds5

About 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (PubChem CID 115187295) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
PubChem CID115187295
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(CO)C(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-10(2)15(9-18)16(19)17-8-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyXAWYRYWZOXAHOL-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(2,4,6-trimethylphenyl)methyl]urea
CID 99830646
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (CID 115187295) is 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is Cc1cc(C)c(CNC(=O)C(CO)C(C)C)c(C)c1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The InChIKey is XAWYRYWZOXAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)15(9-18)16(19)17-8-14-12(4)6-11(3)7-13(14)5/h6-7,10,15,18H,8-9H2,1-5H3,(H,17,19).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).