N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide

C22H25FN2O2 — CID 3913781

IUPACN-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(C(CC(=O)N(C)CCC#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O2/c1-16(2)27-20-11-7-18(8-12-20)21(17-5-9-19(23)10-6-17)15-22(26)25(3)14-4-13-24/h5-12,16,21H,4,14-15H2,1-3H3
InChIKeyZAUYSAKTEDUQFE-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.51
Rot. Bonds8

About N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide

N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 3913781) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID3913781
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(C(CC(=O)N(C)CCC#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O2/c1-16(2)27-20-11-7-18(8-12-20)21(17-5-9-19(23)10-6-17)15-22(26)25(3)14-4-13-24/h5-12,16,21H,4,14-15H2,1-3H3
InChIKeyZAUYSAKTEDUQFE-UHFFFAOYSA-N
XLogP4.51
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide (CID 3913781) is N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(C(CC(=O)N(C)CCC#N)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is ZAUYSAKTEDUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16(2)27-20-11-7-18(8-12-20)21(17-5-9-19(23)10-6-17)15-22(26)25(3)14-4-13-24/h5-12,16,21H,4,14-15H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide?
N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 368.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 3913781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).