N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C20H27FN2O2 — CID 166932106

IUPACN-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1CCC(C=O)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-8-6-16(7-9-17)20(10-1-11-20)19(25)23-12-18(22)15-4-2-14(13-24)3-5-15/h6-9,13-15,18H,1-5,10-12,22H2,(H,23,25)
InChIKeyRQAAYSMPJSMCLL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.70
Rot. Bonds6

About N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 166932106) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID166932106
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1CCC(C=O)CC1
InChIInChI=1S/C20H27FN2O2/c21-17-8-6-16(7-9-17)20(10-1-11-20)19(25)23-12-18(22)15-4-2-14(13-24)3-5-15/h6-9,13-15,18H,1-5,10-12,22H2,(H,23,25)
InChIKeyRQAAYSMPJSMCLL-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 166932086
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763090
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 111662870
6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166932320
3-[1-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-1-methyl-5-(2-methylpropyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 166932325
2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 166932106) is N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is NC(CNC(=O)C1(c2ccc(F)cc2)CCC1)C1CCC(C=O)CC1.
What is the InChIKey of N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is RQAAYSMPJSMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-8-6-16(7-9-17)20(10-1-11-20)19(25)23-12-18(22)15-4-2-14(13-24)3-5-15/h6-9,13-15,18H,1-5,10-12,22H2,(H,23,25).
What are the key properties of N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166932106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).