N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide

C13H20N2O2 — CID 11960750

IUPACN-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)CCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)10-9-14-13(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,14,17)
InChIKeyWKTVTRDJSQGROS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.00
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide

N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 11960750) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID11960750
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)CCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)10-9-14-13(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,14,17)
InChIKeyWKTVTRDJSQGROS-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 11960750) is N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide is CN(C)CCNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is WKTVTRDJSQGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)10-9-14-13(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 11960750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).