ethane;N-(2-hydroxyethyl)-2-methylbenzamide

C12H19NO2 — CID 143093743

IUPACethane;N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCC.Cc1ccccc1C(=O)NCCO
InChIInChI=1S/C10H13NO2.C2H6/c1-8-4-2-3-5-9(8)10(13)11-6-7-12;1-2/h2-5,12H,6-7H2,1H3,(H,11,13);1-2H3
InChIKeyHZTAYQURBQGFAU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds3

About ethane;N-(2-hydroxyethyl)-2-methylbenzamide

ethane;N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 143093743) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID143093743
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCC.Cc1ccccc1C(=O)NCCO
InChIInChI=1S/C10H13NO2.C2H6/c1-8-4-2-3-5-9(8)10(13)11-6-7-12;1-2/h2-5,12H,6-7H2,1H3,(H,11,13);1-2H3
InChIKeyHZTAYQURBQGFAU-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-hexyl-2-methylbenzamide
CID 3017102
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of ethane;N-(2-hydroxyethyl)-2-methylbenzamide (CID 143093743) is ethane;N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for ethane;N-(2-hydroxyethyl)-2-methylbenzamide is CC.Cc1ccccc1C(=O)NCCO.
What is the InChIKey of ethane;N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is HZTAYQURBQGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-8-4-2-3-5-9(8)10(13)11-6-7-12;1-2/h2-5,12H,6-7H2,1H3,(H,11,13);1-2H3.
What are the key properties of ethane;N-(2-hydroxyethyl)-2-methylbenzamide?
ethane;N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 209.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 143093743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).