N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide

C17H27NO2 — CID 86982114

IUPACN-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-5-16(6-2)18(11-12-20-4)17(19)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyCHHHFXNCXLPMQL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds8

About N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide

N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide (PubChem CID 86982114) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
PubChem CID86982114
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-5-16(6-2)18(11-12-20-4)17(19)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyCHHHFXNCXLPMQL-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide (CID 86982114) is N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCOC)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide?
The InChIKey is CHHHFXNCXLPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-16(6-2)18(11-12-20-4)17(19)13-15-9-7-14(3)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide?
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide has a molecular weight of 277.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 86982114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).