N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide

C18H27FN2O3 — CID 86929388

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H27FN2O3/c1-14(2)24-10-7-18(22)20-13-17(21-8-11-23-12-9-21)15-3-5-16(19)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,20,22)
InChIKeySBTUOQMWIIXZCM-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide (PubChem CID 86929388) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide
PubChem CID86929388
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H27FN2O3/c1-14(2)24-10-7-18(22)20-13-17(21-8-11-23-12-9-21)15-3-5-16(19)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,20,22)
InChIKeySBTUOQMWIIXZCM-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide (CID 86929388) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide?
The InChIKey is SBTUOQMWIIXZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-14(2)24-10-7-18(22)20-13-17(21-8-11-23-12-9-21)15-3-5-16(19)6-4-15/h3-6,14,17H,7-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide has a molecular weight of 338.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86929388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).