N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide

C24H27FN2O3 — CID 54774711

IUPACN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CC(c1cccc(F)c1)N1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1
InChIInChI=1S/C24H27FN2O3/c25-17-6-4-5-14(12-17)19(13-20(28)26-18-7-2-1-3-8-18)27-23(29)21-15-9-10-16(11-15)22(21)24(27)30/h4-6,9-10,12,15-16,18-19,21-22H,1-3,7-8,11,13H2,(H,26,28)
InChIKeyDPGJDTYPLYWMRK-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.51
Rot. Bonds5

About N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide

N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide (PubChem CID 54774711) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide
PubChem CID54774711
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CC(c1cccc(F)c1)N1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1
InChIInChI=1S/C24H27FN2O3/c25-17-6-4-5-14(12-17)19(13-20(28)26-18-7-2-1-3-8-18)27-23(29)21-15-9-10-16(11-15)22(21)24(27)30/h4-6,9-10,12,15-16,18-19,21-22H,1-3,7-8,11,13H2,(H,26,28)
InChIKeyDPGJDTYPLYWMRK-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-3-phenylpropanamide
CID 53276634
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)-N-pyridin-3-ylpropanamide
CID 54774639
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54774679
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 54774695
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-methoxyphenyl)propanamide
CID 54774650
(3R)-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-ethyl-3-phenylpropanamide
CID 98304893
N,3-bis(4-chlorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
CID 54774830
(3S)-N-benzyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-3-phenylpropanamide
CID 98304908
(3R)-3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-3-phenyl-N-pyridin-2-ylpropanamide
CID 98304977
N-cyclododecyl-5-[2-(3-fluorobenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
CID 51362641

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide (CID 54774711) is N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide is O=C(CC(c1cccc(F)c1)N1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide?
The InChIKey is DPGJDTYPLYWMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-17-6-4-5-14(12-17)19(13-20(28)26-18-7-2-1-3-8-18)27-23(29)21-15-9-10-16(11-15)22(21)24(27)30/h4-6,9-10,12,15-16,18-19,21-22H,1-3,7-8,11,13H2,(H,26,28).
What are the key properties of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide?
N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide has a molecular weight of 410.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 54774711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).