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

C20H26N2O2 — CID 16889384

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-22(2)18-9-4-17(5-10-18)14-15-21-20(23)13-8-16-6-11-19(24-3)12-7-16/h4-7,9-12H,8,13-15H2,1-3H3,(H,21,23)
InChIKeyZALJILVLXYHSJX-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.05
Rot. Bonds8

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 16889384) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID16889384
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-22(2)18-9-4-17(5-10-18)14-15-21-20(23)13-8-16-6-11-19(24-3)12-7-16/h4-7,9-12H,8,13-15H2,1-3H3,(H,21,23)
InChIKeyZALJILVLXYHSJX-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 16889384) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZALJILVLXYHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(2)18-9-4-17(5-10-18)14-15-21-20(23)13-8-16-6-11-19(24-3)12-7-16/h4-7,9-12H,8,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16889384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).