2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide

C18H29NO — CID 58709449

IUPAC2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
SMILESCCC(C)C(NC(=O)Cc1ccccc1C)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-7-13(2)17(18(4,5)6)19-16(20)12-15-11-9-8-10-14(15)3/h8-11,13,17H,7,12H2,1-6H3,(H,19,20)
InChIKeyYTWZLCNYOKVNTA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide

2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide (PubChem CID 58709449) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
PubChem CID58709449
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
SMILESCCC(C)C(NC(=O)Cc1ccccc1C)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-7-13(2)17(18(4,5)6)19-16(20)12-15-11-9-8-10-14(15)3/h8-11,13,17H,7,12H2,1-6H3,(H,19,20)
InChIKeyYTWZLCNYOKVNTA-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-(4-butan-2-yloxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877407
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
2-methyl-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 113415884
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-methylphenyl)acetamide
CID 61120290
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
CID 142664864
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-(2-methylphenyl)-N-(2-methylpropoxy)acetamide
CID 115409697

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide (CID 58709449) is 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide is CCC(C)C(NC(=O)Cc1ccccc1C)C(C)(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide?
The InChIKey is YTWZLCNYOKVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-13(2)17(18(4,5)6)19-16(20)12-15-11-9-8-10-14(15)3/h8-11,13,17H,7,12H2,1-6H3,(H,19,20).
What are the key properties of 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide?
2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide has a molecular weight of 275.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide is sourced from PubChem (CID 58709449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).