2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide

C20H29FN2O2 — CID 75462681

IUPAC2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24)
InChIKeyFQNVMBLVSDBWDX-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide (PubChem CID 75462681) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
PubChem CID75462681
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24)
InChIKeyFQNVMBLVSDBWDX-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide 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-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N-[1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 4884814
2-[4-Acetylamino-4-(3-fluoro-phenyl)-piperidin-1-yl]-N-cyclohexyl-acetamide
CID 647937
2-[4-Acetylamino-4-(3-fluoro-phenyl)-piperidin-1-yl]-N-isopropyl-acetamide
CID 1444042
(R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyltetrahydro-2H-pyran-4-yl)butanamide
CID 44589931
4-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338463
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338533
4-[2-[4-(4-Fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757717
N1-cyclohexyl-N2-(2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl)oxalamide
CID 18578286
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24791136
(2R)-2-acetamido-N-benzyl-3-(cyclohexylmethoxy)propanamide
CID 46902055
2-[[4-(4-bromophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
CID 51124508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide (CID 75462681) is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is FQNVMBLVSDBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15-2-8-18(9-3-15)23-19(24)14-22-20(10-12-25-13-11-20)16-4-6-17(21)7-5-16/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,24).
What are the key properties of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide?
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 348.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 75462681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).