N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide

C19H26FN3O2 — CID 23850180

IUPACN-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCCC1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-13(2)11-18(24)22-16-5-3-4-6-17(16)23-19(25)21-12-14-7-9-15(20)10-8-14/h7-11,16-17H,3-6,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyJOPYUMOGXNXSJC-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide

N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide (PubChem CID 23850180) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide
PubChem CID23850180
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCCC1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-13(2)11-18(24)22-16-5-3-4-6-17(16)23-19(25)21-12-14-7-9-15(20)10-8-14/h7-11,16-17H,3-6,12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyJOPYUMOGXNXSJC-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
3-methyl-N-[2-(2-phenylethylcarbamoylamino)cyclohexyl]but-2-enamide
CID 23850327
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
1-[(4-fluorophenyl)methyl]-3-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 111434470
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9363347
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide (CID 23850180) is N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCCCC1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide?
The InChIKey is JOPYUMOGXNXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(2)11-18(24)22-16-5-3-4-6-17(16)23-19(25)21-12-14-7-9-15(20)10-8-14/h7-11,16-17H,3-6,12H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide?
N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide has a molecular weight of 347.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide is sourced from PubChem (CID 23850180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).