N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide

C12H17NO2 — CID 39241640

IUPACN-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCN(CCO)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-13(7-8-14)12(15)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8H2,1-2H3
InChIKeyKVTUZBGZTRABBQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.45
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide

N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide (PubChem CID 39241640) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide
PubChem CID39241640
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCN(CCO)C(=O)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-13(7-8-14)12(15)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8H2,1-2H3
InChIKeyKVTUZBGZTRABBQ-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide (CID 39241640) is N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide is CCN(CCO)C(=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is KVTUZBGZTRABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13(7-8-14)12(15)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide?
N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 39241640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).