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

C20H26N2O3 — CID 134057068

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccccc2O)N(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-22(2)18(15-8-11-17(25-3)12-9-15)14-21-20(24)13-10-16-6-4-5-7-19(16)23/h4-9,11-12,18,23H,10,13-14H2,1-3H3,(H,21,24)
InChIKeyBETMHWJVXFYLIV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds8

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

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 134057068) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID134057068
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccccc2O)N(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-22(2)18(15-8-11-17(25-3)12-9-15)14-21-20(24)13-10-16-6-4-5-7-19(16)23/h4-9,11-12,18,23H,10,13-14H2,1-3H3,(H,21,24)
InChIKeyBETMHWJVXFYLIV-UHFFFAOYSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
CID 30314343
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 2574368

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide (CID 134057068) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide is COc1ccc(C(CNC(=O)CCc2ccccc2O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is BETMHWJVXFYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(2)18(15-8-11-17(25-3)12-9-15)14-21-20(24)13-10-16-6-4-5-7-19(16)23/h4-9,11-12,18,23H,10,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 134057068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).