N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide

C20H24FNO2 — CID 5133646

IUPACN,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24FNO2/c1-4-22(5-2)20(23)14-19(15-6-10-17(21)11-7-15)16-8-12-18(24-3)13-9-16/h6-13,19H,4-5,14H2,1-3H3
InChIKeyVICUUINYNATGAH-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.22
Rot. Bonds7

About N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide

N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 5133646) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID5133646
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24FNO2/c1-4-22(5-2)20(23)14-19(15-6-10-17(21)11-7-15)16-8-12-18(24-3)13-9-16/h6-13,19H,4-5,14H2,1-3H3
InChIKeyVICUUINYNATGAH-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide (CID 5133646) is N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide is CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is VICUUINYNATGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-4-22(5-2)20(23)14-19(15-6-10-17(21)11-7-15)16-8-12-18(24-3)13-9-16/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide?
N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 329.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 5133646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).