2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide

C17H27NO2 — CID 176965604

IUPAC2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide
SMILESCC(C)CC(CC(C)C)OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H27NO2/c1-13(2)10-16(11-14(3)4)20-12-17(19)18-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,18,19)
InChIKeyBVDUGYOQLWTKMX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds8

About 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide

2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide (PubChem CID 176965604) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide
PubChem CID176965604
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide
SMILESCC(C)CC(CC(C)C)OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H27NO2/c1-13(2)10-16(11-14(3)4)20-12-17(19)18-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,18,19)
InChIKeyBVDUGYOQLWTKMX-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-nitrooctan-3-yloxy)-N-phenylacetamide
CID 54231655
(2R)-4-methyl-2-(4-methyl-2-oxopentoxy)-N-phenylpentanamide
CID 157220940
2-aminooxy-N-phenylacetamide
CID 68980997
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
methyl (2S)-2-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]-4-methylpentanoate
CID 90879083
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-acetamidooxy-N-phenylacetamide
CID 137320659
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide?
The IUPAC name of 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide (CID 176965604) is 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide.
What is the SMILES notation for 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide?
The canonical SMILES for 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide is CC(C)CC(CC(C)C)OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide?
The InChIKey is BVDUGYOQLWTKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)10-16(11-14(3)4)20-12-17(19)18-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide?
2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide has a molecular weight of 277.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylheptan-4-yloxy)-N-phenylacetamide is sourced from PubChem (CID 176965604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).