N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide

C13H19NO2 — CID 62366240

IUPACN-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)CCO
InChIInChI=1S/C13H19NO2/c1-11-5-3-4-6-12(11)7-8-13(16)14(2)9-10-15/h3-6,15H,7-10H2,1-2H3
InChIKeyNGWOROYDKJSWCE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide

N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 62366240) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID62366240
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)CCO
InChIInChI=1S/C13H19NO2/c1-11-5-3-4-6-12(11)7-8-13(16)14(2)9-10-15/h3-6,15H,7-10H2,1-2H3
InChIKeyNGWOROYDKJSWCE-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide (CID 62366240) is N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is NGWOROYDKJSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-5-3-4-6-12(11)7-8-13(16)14(2)9-10-15/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide?
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62366240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).