N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane

C16H35NO — CID 145106472

IUPACN-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane
SMILESCC.CCCC(CCC)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H29NO.C2H6/c1-7-9-12(10-8-2)13(14(4,5)6)15-11(3)16;1-2/h12-13H,7-10H2,1-6H3,(H,15,16);1-2H3
InChIKeyFYZUYMYDUVLIRU-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.78
Rot. Bonds6

About N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane

N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane (PubChem CID 145106472) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane
PubChem CID145106472
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane
SMILESCC.CCCC(CCC)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H29NO.C2H6/c1-7-9-12(10-8-2)13(14(4,5)6)15-11(3)16;1-2/h12-13H,7-10H2,1-6H3,(H,15,16);1-2H3
InChIKeyFYZUYMYDUVLIRU-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-4-propylheptan-3-amine
CID 115854216
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
2-acetamidopentanamide
CID 23273489
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
CID 102171914
N-pentadecan-4-ylacetamide
CID 87419548
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-hexan-2-ylacetamide;methane
CID 161054772
[(2S)-2-acetamidopentyl] acetate
CID 14619274
[(2R)-2-acetamidopentyl] acetate
CID 10442452
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
N-(6-ethyldecan-5-yl)acetamide
CID 88504383

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane?
The IUPAC name of N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane (CID 145106472) is N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane.
What is the SMILES notation for N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane?
The canonical SMILES for N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane is CC.CCCC(CCC)C(NC(C)=O)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane?
The InChIKey is FYZUYMYDUVLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C2H6/c1-7-9-12(10-8-2)13(14(4,5)6)15-11(3)16;1-2/h12-13H,7-10H2,1-6H3,(H,15,16);1-2H3.
What are the key properties of N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane?
N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane has a molecular weight of 257.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane is sourced from PubChem (CID 145106472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).