N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide

C20H29FN2O2 — CID 110353932

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCC(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-14(2)18(15-8-10-16(21)11-9-15)12-19(24)22-13-20(25)23-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUPPPWNMEWVPLU-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide

N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide (PubChem CID 110353932) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide
PubChem CID110353932
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCC(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-14(2)18(15-8-10-16(21)11-9-15)12-19(24)22-13-20(25)23-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUPPPWNMEWVPLU-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-propan-2-ylphenyl)pentanamide
CID 110353882
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689
N-cyclohexyl-2-[[N-[3-(4-fluorophenyl)sulfanylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111311362
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
CID 110352147
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide (CID 110353932) is N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide is CC(C)C(CC(=O)NCC(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The InChIKey is VUPPPWNMEWVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14(2)18(15-8-10-16(21)11-9-15)12-19(24)22-13-20(25)23-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide has a molecular weight of 348.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 110353932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).