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

C16H24N2O2 — CID 155392784

IUPAC2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide
SMILESCCC(Cc1c(C)cc(C)c(NC(C)=O)c1C)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-6-13(16(17)20)8-14-9(2)7-10(3)15(11(14)4)18-12(5)19/h7,13H,6,8H2,1-5H3,(H2,17,20)(H,18,19)
InChIKeyPGEMQQVCIZQKKZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.62
Rot. Bonds5

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

2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide (PubChem CID 155392784) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide
PubChem CID155392784
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide
SMILESCCC(Cc1c(C)cc(C)c(NC(C)=O)c1C)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-6-13(16(17)20)8-14-9(2)7-10(3)15(11(14)4)18-12(5)19/h7,13H,6,8H2,1-5H3,(H2,17,20)(H,18,19)
InChIKeyPGEMQQVCIZQKKZ-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2,3,5,6-tetramethylphenyl)methyl]butanoate
CID 116931289
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
(3-acetamido-6-iodo-2,4-dimethylphenyl)methyl acetate
CID 59731922
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
CID 5069097
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
N-(3-isocyanato-2,4,6-trimethylphenyl)acetamide
CID 169354048
N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline
CID 139352388
2-amino-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 82492252
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide?
The IUPAC name of 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide (CID 155392784) is 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide is CCC(Cc1c(C)cc(C)c(NC(C)=O)c1C)C(N)=O.
What is the InChIKey of 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide?
The InChIKey is PGEMQQVCIZQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-13(16(17)20)8-14-9(2)7-10(3)15(11(14)4)18-12(5)19/h7,13H,6,8H2,1-5H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide?
2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 155392784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).