2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide

C18H27FN2O3 — CID 111755074

IUPAC2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
SMILESCC(C)(CO)CCCNC(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2O3/c1-18(2,13-22)8-5-9-20-17(23)21-10-11-24-16(12-21)14-6-3-4-7-15(14)19/h3-4,6-7,16,22H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyAKDGPEQZXCRBMF-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide

2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide (PubChem CID 111755074) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
PubChem CID111755074
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
SMILESCC(C)(CO)CCCNC(=O)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2O3/c1-18(2,13-22)8-5-9-20-17(23)21-10-11-24-16(12-21)14-6-3-4-7-15(14)19/h3-4,6-7,16,22H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyAKDGPEQZXCRBMF-UHFFFAOYSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
CID 71879749
2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
CID 102555836
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
CID 126771204
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide (CID 111755074) is 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide is CC(C)(CO)CCCNC(=O)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide?
The InChIKey is AKDGPEQZXCRBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-18(2,13-22)8-5-9-20-17(23)21-10-11-24-16(12-21)14-6-3-4-7-15(14)19/h3-4,6-7,16,22H,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide?
2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide is sourced from PubChem (CID 111755074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).