2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide

C19H29NO4 — CID 147853289

IUPAC2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCCC(=O)Cc1ccc(CC(=O)NCCCOC)cc1
InChIInChI=1S/C19H29NO4/c1-23-12-4-3-6-18(21)14-16-7-9-17(10-8-16)15-19(22)20-11-5-13-24-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,22)
InChIKeyHVFWVGJPQOGLEH-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.31
Rot. Bonds13

About 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide

2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide (PubChem CID 147853289) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
PubChem CID147853289
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCCC(=O)Cc1ccc(CC(=O)NCCCOC)cc1
InChIInChI=1S/C19H29NO4/c1-23-12-4-3-6-18(21)14-16-7-9-17(10-8-16)15-19(22)20-11-5-13-24-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,22)
InChIKeyHVFWVGJPQOGLEH-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
CID 69307200
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide (CID 147853289) is 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide is COCCCCC(=O)Cc1ccc(CC(=O)NCCCOC)cc1.
What is the InChIKey of 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is HVFWVGJPQOGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-23-12-4-3-6-18(21)14-16-7-9-17(10-8-16)15-19(22)20-11-5-13-24-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide?
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 335.44 g/mol, XLogP of 2.31, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 147853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).