N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide

C13H19NO5 — CID 60652690

IUPACN-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCO)c(OC)c1OC
InChIInChI=1S/C13H19NO5/c1-14(7-8-15)13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,15H,7-8H2,1-4H3
InChIKeyKSZQFSNCMDUYSQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.78
Rot. Bonds6

About N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide

N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 60652690) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID60652690
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCO)c(OC)c1OC
InChIInChI=1S/C13H19NO5/c1-14(7-8-15)13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,15H,7-8H2,1-4H3
InChIKeyKSZQFSNCMDUYSQ-UHFFFAOYSA-N
XLogP0.78
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide (CID 60652690) is N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCO)c(OC)c1OC.
What is the InChIKey of N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is KSZQFSNCMDUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-14(7-8-15)13(16)9-5-6-10(17-2)12(19-4)11(9)18-3/h5-6,15H,7-8H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide?
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 60652690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).