3,4,5-triethoxy-N-methylbenzamide

C14H21NO4 — CID 2315558

IUPAC3,4,5-triethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)NC)cc(OCC)c1OCC
InChIInChI=1S/C14H21NO4/c1-5-17-11-8-10(14(16)15-4)9-12(18-6-2)13(11)19-7-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyMKPGNCFEQQOHGP-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.24
Rot. Bonds7

About 3,4,5-triethoxy-N-methylbenzamide

3,4,5-triethoxy-N-methylbenzamide (PubChem CID 2315558) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-methylbenzamide
PubChem CID2315558
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3,4,5-triethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)NC)cc(OCC)c1OCC
InChIInChI=1S/C14H21NO4/c1-5-17-11-8-10(14(16)15-4)9-12(18-6-2)13(11)19-7-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyMKPGNCFEQQOHGP-UHFFFAOYSA-N
XLogP2.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-methylbenzamide?
The IUPAC name of 3,4,5-triethoxy-N-methylbenzamide (CID 2315558) is 3,4,5-triethoxy-N-methylbenzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-methylbenzamide?
The canonical SMILES for 3,4,5-triethoxy-N-methylbenzamide is CCOc1cc(C(=O)NC)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-methylbenzamide?
The InChIKey is MKPGNCFEQQOHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-17-11-8-10(14(16)15-4)9-12(18-6-2)13(11)19-7-3/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3,4,5-triethoxy-N-methylbenzamide?
3,4,5-triethoxy-N-methylbenzamide has a molecular weight of 267.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-methylbenzamide is sourced from PubChem (CID 2315558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).