2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide

C28H26N2O3 — CID 2974000

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C28H26N2O3/c31-26(29-22-12-6-10-18-9-4-5-11-21(18)22)23(15-17-7-2-1-3-8-17)30-27(32)24-19-13-14-20(16-19)25(24)28(30)33/h1-12,19-20,23-25H,13-16H2,(H,29,31)
InChIKeyQGXRMOATNJAHIP-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.42
Rot. Bonds5

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide (PubChem CID 2974000) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide
PubChem CID2974000
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C28H26N2O3/c31-26(29-22-12-6-10-18-9-4-5-11-21(18)22)23(15-17-7-2-1-3-8-17)30-27(32)24-19-13-14-20(16-19)25(24)28(30)33/h1-12,19-20,23-25H,13-16H2,(H,29,31)
InChIKeyQGXRMOATNJAHIP-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.42
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

N-(2-chlorophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
CID 2925821
(2S)-N-benzyl-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 124536693
(2S)-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 124718578
(2R)-N-(4-bromo-2-methylphenyl)-2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 98338676
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-yl-3-phenylpropanamide
CID 1342808
(2S)-N-cyclohexyl-2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 11893024
(2S)-N-(3,4-dimethylphenyl)-2-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 11897938
(2R)-2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanoate
CID 11911266
(2R)-2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 98214360
(2S)-2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 41065784
N-naphthalen-1-yl-3-phenyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19241605
propan-2-yl 4-[[(2R)-2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanoyl]amino]benzoate
CID 98267749

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide (CID 2974000) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide is O=C(Nc1cccc2ccccc12)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide?
The InChIKey is QGXRMOATNJAHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c31-26(29-22-12-6-10-18-9-4-5-11-21(18)22)23(15-17-7-2-1-3-8-17)30-27(32)24-19-13-14-20(16-19)25(24)28(30)33/h1-12,19-20,23-25H,13-16H2,(H,29,31).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-naphthalen-1-yl-3-phenylpropanamide is sourced from PubChem (CID 2974000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).