N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide

C20H26N2O3 — CID 87006843

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-5-9-19(10-6-15)25-16(2)20(23)21-17-7-11-18(12-8-17)24-14-13-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyKSABVTVJGQHUAP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.34
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 87006843) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID87006843
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-15-5-9-19(10-6-15)25-16(2)20(23)21-17-7-11-18(12-8-17)24-14-13-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23)
InChIKeyKSABVTVJGQHUAP-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 16535238
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-[4-(dimethylamino)phenyl]-2-(4-ethoxyphenoxy)propanamide
CID 53267102
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide (CID 87006843) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is KSABVTVJGQHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-9-19(10-6-15)25-16(2)20(23)21-17-7-11-18(12-8-17)24-14-13-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 87006843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).