N-(2,7,7-trimethyloctan-3-yl)acetamide

C13H27NO — CID 144535595

IUPACN-(2,7,7-trimethyloctan-3-yl)acetamide
SMILESCC(=O)NC(CCCC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)12(14-11(3)15)8-7-9-13(4,5)6/h10,12H,7-9H2,1-6H3,(H,14,15)
InChIKeyJDUFPBRKBAFOLH-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.36
Rot. Bonds5

About N-(2,7,7-trimethyloctan-3-yl)acetamide

N-(2,7,7-trimethyloctan-3-yl)acetamide (PubChem CID 144535595) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2,7,7-trimethyloctan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,7,7-trimethyloctan-3-yl)acetamide
PubChem CID144535595
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2,7,7-trimethyloctan-3-yl)acetamide
SMILESCC(=O)NC(CCCC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)12(14-11(3)15)8-7-9-13(4,5)6/h10,12H,7-9H2,1-6H3,(H,14,15)
InChIKeyJDUFPBRKBAFOLH-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
3-acetamido-4-methylpentanoic acid
CID 22460001
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide
CID 169251356
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
CID 90347364
2-methyl-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
CID 90347352
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103

Frequently Asked Questions

What is the IUPAC name of N-(2,7,7-trimethyloctan-3-yl)acetamide?
The IUPAC name of N-(2,7,7-trimethyloctan-3-yl)acetamide (CID 144535595) is N-(2,7,7-trimethyloctan-3-yl)acetamide.
What is the SMILES notation for N-(2,7,7-trimethyloctan-3-yl)acetamide?
The canonical SMILES for N-(2,7,7-trimethyloctan-3-yl)acetamide is CC(=O)NC(CCCC(C)(C)C)C(C)C.
What is the InChIKey of N-(2,7,7-trimethyloctan-3-yl)acetamide?
The InChIKey is JDUFPBRKBAFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)12(14-11(3)15)8-7-9-13(4,5)6/h10,12H,7-9H2,1-6H3,(H,14,15).
What are the key properties of N-(2,7,7-trimethyloctan-3-yl)acetamide?
N-(2,7,7-trimethyloctan-3-yl)acetamide has a molecular weight of 213.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7,7-trimethyloctan-3-yl)acetamide is sourced from PubChem (CID 144535595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).