N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide

C16H24N2O4 — CID 108985865

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-5-6-9-17-15(19)16(20)18-11-12-7-8-13(21-2)14(10-12)22-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHCOSVVBZECJICG-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.63
Rot. Bonds8

About N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide

N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide (PubChem CID 108985865) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
PubChem CID108985865
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-5-6-9-17-15(19)16(20)18-11-12-7-8-13(21-2)14(10-12)22-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHCOSVVBZECJICG-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide (CID 108985865) is N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide is CCCCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide?
The InChIKey is HCOSVVBZECJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-5-6-9-17-15(19)16(20)18-11-12-7-8-13(21-2)14(10-12)22-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide?
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide has a molecular weight of 308.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide is sourced from PubChem (CID 108985865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).