N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide

C24H30N2O3 — CID 2924930

IUPACN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C24H30N2O3/c27-22(25-18-9-5-2-6-10-18)19(13-15-7-3-1-4-8-15)26-23(28)20-16-11-12-17(14-16)21(20)24(26)29/h1,3-4,7-8,16-21H,2,5-6,9-14H2,(H,25,27)
InChIKeyOMCWOCIAYPXGFW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.08
Rot. Bonds5

About N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide

N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide (PubChem CID 2924930) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
PubChem CID2924930
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C24H30N2O3/c27-22(25-18-9-5-2-6-10-18)19(13-15-7-3-1-4-8-15)26-23(28)20-16-11-12-17(14-16)21(20)24(26)29/h1,3-4,7-8,16-21H,2,5-6,9-14H2,(H,25,27)
InChIKeyOMCWOCIAYPXGFW-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-N-methyl-3-phenyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-yl]propanamide
CID 25053421
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2924797
2-[1-Oxo-3-phenyl-1-(1-piperidinyl)-2-propanyl]-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2925123
N-benzyl-2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
CID 2925838
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2950407
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylpropanamide
CID 3235764
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 3239481
2-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3240992
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide
CID 3242710
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-phenylethyl)propanamide
CID 3243722
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-(9H-fluoren-9-yl)acetyl]pyrrolidine-2-carboxamide
CID 10502821

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide (CID 2924930) is N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide is O=C(NC1CCCCC1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The InChIKey is OMCWOCIAYPXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-22(25-18-9-5-2-6-10-18)19(13-15-7-3-1-4-8-15)26-23(28)20-16-11-12-17(14-16)21(20)24(26)29/h1,3-4,7-8,16-21H,2,5-6,9-14H2,(H,25,27).
What are the key properties of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide has a molecular weight of 394.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 2924930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).