N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide

C14H21NO2 — CID 55061165

IUPACN-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-11-4-6-13(7-5-11)8-9-14(17)15(3)10-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyIODTZTPJFGJMRS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide

N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide (PubChem CID 55061165) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
PubChem CID55061165
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-11-4-6-13(7-5-11)8-9-14(17)15(3)10-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyIODTZTPJFGJMRS-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
3-[3-(4-tert-butylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228484
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 110308817
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 114242753
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
(2S)-3-[3-(2,4-dimethylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 97324500
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide (CID 55061165) is N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(C)CC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is IODTZTPJFGJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-6-13(7-5-11)8-9-14(17)15(3)10-12(2)16/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide?
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55061165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).