N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide

C14H21NO2 — CID 60656670

IUPACN-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-8-15(9-10-16)14(17)11-13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyQXYKKXAUAWQRJH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide

N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide (PubChem CID 60656670) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
PubChem CID60656670
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-8-15(9-10-16)14(17)11-13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyQXYKKXAUAWQRJH-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
N-acetyl-2-(2-methylphenyl)-N-propylacetamide
CID 151742492
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702981
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989
2-(9H-fluoren-9-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 18683013
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150551

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide (CID 60656670) is N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide is CCCN(CCO)C(=O)Cc1ccccc1C.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide?
The InChIKey is QXYKKXAUAWQRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-8-15(9-10-16)14(17)11-13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide?
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 60656670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).