N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide

C21H28N2O4 — CID 112504169

IUPACN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(C(CNC(=O)CCOc2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C21H28N2O4/c1-23(2)18(16-10-11-19(25-3)20(14-16)26-4)15-22-21(24)12-13-27-17-8-6-5-7-9-17/h5-11,14,18H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyIHMQRYWYAYXAFI-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.89
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide (PubChem CID 112504169) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
PubChem CID112504169
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(C(CNC(=O)CCOc2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C21H28N2O4/c1-23(2)18(16-10-11-19(25-3)20(14-16)26-4)15-22-21(24)12-13-27-17-8-6-5-7-9-17/h5-11,14,18H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyIHMQRYWYAYXAFI-UHFFFAOYSA-N
XLogP2.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
3-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273156
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
CID 110302842
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302846
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide (CID 112504169) is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide is COc1ccc(C(CNC(=O)CCOc2ccccc2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide?
The InChIKey is IHMQRYWYAYXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-23(2)18(16-10-11-19(25-3)20(14-16)26-4)15-22-21(24)12-13-27-17-8-6-5-7-9-17/h5-11,14,18H,12-13,15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide?
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide has a molecular weight of 372.47 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112504169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).