10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

C20H21N3O2 — CID 24772717

IUPAC10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19-16-8-4-7-15-10-12-23(17(13-22-19)18(15)16)20(25)21-11-9-14-5-2-1-3-6-14/h1-8,17H,9-13H2,(H,21,25)(H,22,24)
InChIKeyCLKFQUXLZJQMDI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.28
Rot. Bonds3

About 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (PubChem CID 24772717) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.

Molecular Properties

Compound Name10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
PubChem CID24772717
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19-16-8-4-7-15-10-12-23(17(13-22-19)18(15)16)20(25)21-11-9-14-5-2-1-3-6-14/h1-8,17H,9-13H2,(H,21,25)(H,22,24)
InChIKeyCLKFQUXLZJQMDI-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-amino-3-phenylpropanoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24772067
2-propanoyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 25143891
2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 46226381
2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide
CID 166177275
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
(8aR,12aS,13aR)-1-methoxy-N-(2-phenylethyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 18636264
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(3aS,10bS)-2-methyl-6-oxo-N-(2-phenylethyl)-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepine-8-carboxamide
CID 66821462
N'-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N-(2-phenylethyl)oxamide
CID 16891263
2-(4-methylphenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 53013117
(8aR,12aR,13aR)-3-(2-methylpropyl)-8-oxo-N-(2-phenylethyl)-6,8a,9,10,11,12a,13,13a-octahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 18636219
3-[(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid
CID 122018056

Frequently Asked Questions

What is the IUPAC name of 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The IUPAC name of 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (CID 24772717) is 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.
What is the SMILES notation for 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The canonical SMILES for 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is O=C1NCC2c3c(cccc31)CCN2C(=O)NCCc1ccccc1.
What is the InChIKey of 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The InChIKey is CLKFQUXLZJQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-16-8-4-7-15-10-12-23(17(13-22-19)18(15)16)20(25)21-11-9-14-5-2-1-3-6-14/h1-8,17H,9-13H2,(H,21,25)(H,22,24).
What are the key properties of 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-N-(2-phenylethyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is sourced from PubChem (CID 24772717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).