3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide

C14H21NO5 — CID 646730

IUPAC3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-17-7-5-6-15-14(16)10-8-11(18-2)13(20-4)12(9-10)19-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJTQKICPAAOVCGN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.48
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide

3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide (PubChem CID 646730) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide
PubChem CID646730
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-17-7-5-6-15-14(16)10-8-11(18-2)13(20-4)12(9-10)19-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyJTQKICPAAOVCGN-UHFFFAOYSA-N
XLogP1.48
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide (CID 646730) is 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide?
The InChIKey is JTQKICPAAOVCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-7-5-6-15-14(16)10-8-11(18-2)13(20-4)12(9-10)19-3/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide?
3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 646730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).