N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide

C17H22N2O3 — CID 4882490

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide
SMILESCN(C)C(CNC(=O)CCOc1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O3/c1-19(2)15(16-9-6-11-22-16)13-18-17(20)10-12-21-14-7-4-3-5-8-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,18,20)
InChIKeyUVEWHNZPHXFYNR-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.47
Rot. Bonds8

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide (PubChem CID 4882490) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide
PubChem CID4882490
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide
SMILESCN(C)C(CNC(=O)CCOc1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O3/c1-19(2)15(16-9-6-11-22-16)13-18-17(20)10-12-21-14-7-4-3-5-8-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,18,20)
InChIKeyUVEWHNZPHXFYNR-UHFFFAOYSA-N
XLogP2.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide (CID 4882490) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide is CN(C)C(CNC(=O)CCOc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is UVEWHNZPHXFYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(2)15(16-9-6-11-22-16)13-18-17(20)10-12-21-14-7-4-3-5-8-14/h3-9,11,15H,10,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 302.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 4882490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).