4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide

C16H25NO4 — CID 133179107

IUPAC4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
SMILESCCCOCc1cc(C(=O)NC(C)COC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-5-8-21-11-14-9-13(6-7-15(14)20-4)16(18)17-12(2)10-19-3/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,17,18)
InChIKeyXYVIPQJELFXUDC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.39
Rot. Bonds9

About 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide

4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide (PubChem CID 133179107) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
PubChem CID133179107
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide
SMILESCCCOCc1cc(C(=O)NC(C)COC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-5-8-21-11-14-9-13(6-7-15(14)20-4)16(18)17-12(2)10-19-3/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,17,18)
InChIKeyXYVIPQJELFXUDC-UHFFFAOYSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.39
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-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133254157
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133221280
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide?
The IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide (CID 133179107) is 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide is CCCOCc1cc(C(=O)NC(C)COC)ccc1OC.
What is the InChIKey of 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide?
The InChIKey is XYVIPQJELFXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-8-21-11-14-9-13(6-7-15(14)20-4)16(18)17-12(2)10-19-3/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,17,18).
What are the key properties of 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide?
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methoxypropan-2-yl)-3-(propoxymethyl)benzamide is sourced from PubChem (CID 133179107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).