N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide

C16H25NO2 — CID 2897080

IUPACN-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-11(2)14(12(3)4)17-16(18)15(19-5)13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,17,18)
InChIKeyICMLXVPRKKSQCC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide

N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide (PubChem CID 2897080) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
PubChem CID2897080
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-11(2)14(12(3)4)17-16(18)15(19-5)13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,17,18)
InChIKeyICMLXVPRKKSQCC-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide (CID 2897080) is N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide is COC(C(=O)NC(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is ICMLXVPRKKSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14(12(3)4)17-16(18)15(19-5)13-9-7-6-8-10-13/h6-12,14-15H,1-5H3,(H,17,18).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide?
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 263.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 2897080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).