N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide

C20H29FN2O2 — CID 56569745

IUPACN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-3-4-6-14-9-11-15(12-10-14)20(25)23(2)18(19(22)24)16-7-5-8-17(21)13-16/h5,7-8,13-15,18H,3-4,6,9-12H2,1-2H3,(H2,22,24)
InChIKeyUFWLWPTWCUDQKX-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.81
Rot. Bonds7

About N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide (PubChem CID 56569745) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
PubChem CID56569745
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c1-3-4-6-14-9-11-15(12-10-14)20(25)23(2)18(19(22)24)16-7-5-8-17(21)13-16/h5,7-8,13-15,18H,3-4,6,9-12H2,1-2H3,(H2,22,24)
InChIKeyUFWLWPTWCUDQKX-UHFFFAOYSA-N
XLogP3.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56566659
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 56566216
N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 95348415
[(1R,2S)-2-[methyl-(4-pentylcyclohexanecarbonyl)amino]-1-phenylpropyl] 4-pentylcyclohexane-1-carboxylate
CID 90335881
3-N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 56566560
4-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 40643648
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 99107147
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide (CID 56569745) is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is UFWLWPTWCUDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-3-4-6-14-9-11-15(12-10-14)20(25)23(2)18(19(22)24)16-7-5-8-17(21)13-16/h5,7-8,13-15,18H,3-4,6,9-12H2,1-2H3,(H2,22,24).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide?
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 56569745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).