N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide

C21H28N2O2 — CID 46654393

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCCN(CCNC(=O)CCc1ccc(OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-4-23(19-7-5-6-17(2)16-19)15-14-22-21(24)13-10-18-8-11-20(25-3)12-9-18/h5-9,11-12,16H,4,10,13-15H2,1-3H3,(H,22,24)
InChIKeyWYIFBQOGDCAWSB-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.58
Rot. Bonds9

About N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 46654393) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID46654393
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCCN(CCNC(=O)CCc1ccc(OC)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-4-23(19-7-5-6-17(2)16-19)15-14-22-21(24)13-10-18-8-11-20(25-3)12-9-18/h5-9,11-12,16H,4,10,13-15H2,1-3H3,(H,22,24)
InChIKeyWYIFBQOGDCAWSB-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
3-(4-methoxyphenyl)-N-(3-methylphenyl)-N-propylpropanamide
CID 17321844
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46684416
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
CID 52754815
2-(5-acetyl-2-methoxyphenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 39910739
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
CID 78798639
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 46532633
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide (CID 46654393) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide is CCN(CCNC(=O)CCc1ccc(OC)cc1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WYIFBQOGDCAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-23(19-7-5-6-17(2)16-19)15-14-22-21(24)13-10-18-8-11-20(25-3)12-9-18/h5-9,11-12,16H,4,10,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46654393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).